 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9107960/Gau-2891.inp" -scrdir="/scratch/9107960/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2900.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer08_M11_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer08_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Polar=
 ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9849691           3.7651866           3.7192509
 Leave Link  202 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 18:33:05 2022, MaxMem=  5368709120 cpu:              14.1 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 18:33:06 2022, MaxMem=  5368709120 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 18:33:06 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer08_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 18:33:06 2022, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.627180038020    
 DIIS: error= 6.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.627180038020     IErMin= 1 ErrMin= 6.30D-03
 ErrMax= 6.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-03 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.433 Goal=   None    Shift=    0.000
 GapD=    0.433 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.58D-03 MaxDP=1.32D+00              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.90D-03    CP:  8.46D-01
 E= -197.634192551015     Delta-E=       -0.007012512995 Rises=F Damp=F
 DIIS: error= 6.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.634192551015     IErMin= 2 ErrMin= 6.62D-04
 ErrMax= 6.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-05 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.62D-03
 Coeff-Com: -0.602D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.598D-01 0.106D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=5.61D-02 DE=-7.01D-03 OVMax= 3.03D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.25D-04    CP:  8.46D-01  1.12D+00
 E= -197.634322216462     Delta-E=       -0.000129665447 Rises=F Damp=F
 DIIS: error= 3.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.634322216462     IErMin= 3 ErrMin= 3.33D-04
 ErrMax= 3.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-05 BMatP= 8.13D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.33D-03
 Coeff-Com: -0.201D-01 0.248D+00 0.772D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.200D-01 0.247D+00 0.773D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=8.86D-05 MaxDP=6.60D-03 DE=-1.30D-04 OVMax= 1.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.85D-05    CP:  8.48D-01  1.12D+00  1.08D+00
 E= -197.634334716338     Delta-E=       -0.000012499875 Rises=F Damp=F
 DIIS: error= 1.47D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.634334716338     IErMin= 4 ErrMin= 1.47D-04
 ErrMax= 1.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 1.24D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.47D-03
 Coeff-Com:  0.885D-03-0.699D-01 0.260D+00 0.809D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.884D-03-0.698D-01 0.260D+00 0.809D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=4.15D-05 MaxDP=1.86D-03 DE=-1.25D-05 OVMax= 4.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.83D-05    CP:  8.48D-01  1.13D+00  1.11D+00  1.01D+00
 E= -197.634337460565     Delta-E=       -0.000002744228 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.634337460565     IErMin= 5 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-08 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Coeff:      0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=5.88D-06 MaxDP=5.85D-04 DE=-2.74D-06 OVMax= 7.84D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.86D-06    CP:  8.48D-01  1.13D+00  1.11D+00  1.06D+00  1.07D+00
 E= -197.634337501852     Delta-E=       -0.000000041287 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.634337501852     IErMin= 6 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-10 BMatP= 1.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Coeff:     -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=1.52D-04 DE=-4.13D-08 OVMax= 1.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.92D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00
 E= -197.634337502958     Delta-E=       -0.000000001106 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.634337502958     IErMin= 7 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 4.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff-Com:  0.832D+00
 Coeff:     -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff:      0.832D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=3.08D-07 MaxDP=4.84D-05 DE=-1.11D-09 OVMax= 2.00D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00  1.12D+00
 E= -197.634337503005     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.634337503005     IErMin= 8 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff-Com:  0.179D+00 0.926D+00
 Coeff:      0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff:      0.179D+00 0.926D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.89D-05 DE=-4.73D-11 OVMax= 6.07D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.36D-08    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.21D+00  1.11D+00
 E= -197.634337503006     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.634337503006     IErMin= 9 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-14 BMatP= 5.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff-Com: -0.365D-01-0.989D-01 0.113D+01
 Coeff:     -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff:     -0.365D-01-0.989D-01 0.113D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=4.07D-06 DE=-5.68D-13 OVMax= 6.00D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.98D-09    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.22D+00  1.17D+00  1.19D+00
 E= -197.634337503011     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 8.55D-10 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -197.634337503011     IErMin=10 ErrMin= 8.55D-10
 ErrMax= 8.55D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-16 BMatP= 1.50D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff-Com:  0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Coeff:      0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff:      0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.35D-09 MaxDP=3.85D-07 DE=-5.68D-12 OVMax= 6.28D-09

 SCF Done:  E(RM11) =  -197.634337503     A.U. after   10 cycles
            NFock= 10  Conv=0.23D-08     -V/T= 2.0077
 KE= 1.961274434663D+02 PE=-8.535445951766D+02 EE= 2.611885128448D+02
 Leave Link  502 at Thu Jan 27 18:34:23 2022, MaxMem=  5368709120 cpu:             615.9 elap:              77.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.12798969D+03

 Leave Link  801 at Thu Jan 27 18:34:23 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 7.70D-02 5.87D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 7.56D-03 1.59D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 8.28D-04 6.59D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.23D-05 1.09D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 1.92D-07 1.29D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.42D-09 1.53D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 6.73D-11 1.26D-06.
      9 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.05D-12 1.78D-07.
      3 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 1.11D-14 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.674779D+02
      2 -0.702391D-02  0.674824D+02
      3 -0.254835D-01 -0.263058D-01  0.674884D+02
 Isotropic polarizability for W=    0.085645       67.48 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.208344D-01 -0.122536D+00  0.744007D-01
      2   0.872632D-01 -0.197538D-01 -0.868524D-01
      3  -0.665862D-01  0.523460D-01 -0.108060D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.127720D-02  0.334495D-02  0.156571D-02
      2   0.334495D-02  0.732614D-02  0.146946D-01
      3   0.156571D-02  0.146946D-01 -0.737274D-02
 OR G Eigenvalues:    -0.0165     0.0004     0.0172  Iso=    -0.0004
 Eigenvectors:
   (1)   0.024598  -0.527855   0.848978
   (2)   0.974296  -0.177563  -0.138630
   (3)   0.223924   0.830566   0.509920
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0004 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.56D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.23D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.68D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 6.21D-03 1.74D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.94D-04 4.42D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.33D-05 7.96D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 2.62D-07 7.77D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 3.38D-09 1.12D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 2.96D-11 7.83D-07.
     25 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.37D-13 7.30D-08.
      1 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 2.28D-15 1.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   236 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674779D+02 -0.702391D-02 -0.254835D-01
      2  -0.702391D-02  0.674824D+02 -0.263058D-01
      3  -0.254835D-01 -0.263058D-01  0.674884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113670D+01  0.493407D-01  0.407659D+01  0.335880D-01  0.507476D+01
      2   0.493407D-01  0.505505D+01  0.545586D+01  0.507476D+01 -0.318282D+01
      3   0.407659D+01  0.545586D+01 -0.400068D+01  0.545152D+01 -0.147313D+01
                 6             7             8             9            10 
      1   0.545152D+01  0.407847D+01  0.543576D+01 -0.395195D+01 -0.845197D+00
      2  -0.147313D+01  0.543576D+01 -0.148852D+01  0.309200D+01 -0.570711D-01
      3   0.306269D+01 -0.395195D+01  0.309200D+01 -0.253293D+01 -0.277450D+01
                11            12            13            14            15 
      1  -0.570711D-01 -0.277450D+01  0.258881D+00 -0.480317D+01 -0.415478D+01
      2  -0.369997D+01 -0.415563D+01 -0.480317D+01  0.150261D+01  0.203416D+01
      3  -0.415563D+01  0.340617D+01 -0.415478D+01  0.203416D+01 -0.202995D+01
                16            17            18            19            20 
      1  -0.359622D+01 -0.411846D+01  0.230769D+01  0.241964D+01  0.386836D+00
      2  -0.411846D+01  0.122600D+01 -0.234883D+01  0.386836D+00 -0.403997D+01
      3   0.230769D+01 -0.234883D+01  0.336299D+01 -0.261275D+01 -0.432276D+01
                21            22            23            24            25 
      1  -0.261275D+01 -0.502058D+00 -0.317822D+01 -0.435047D+01 -0.326492D+01
      2  -0.432276D+01 -0.317822D+01  0.385931D+01  0.139028D+01 -0.435037D+01
      3   0.264379D+01 -0.435047D+01  0.139028D+01 -0.235809D+01  0.352693D+01
                26            27            28            29            30 
      1  -0.435037D+01  0.352693D+01  0.214085D+01 -0.979830D+00 -0.317889D+01
      2   0.795863D+00 -0.149325D+01 -0.979830D+00 -0.430401D+01 -0.411784D+01
      3  -0.149325D+01  0.313140D+01 -0.317889D+01 -0.411784D+01  0.287149D+01
                31            32            33            34            35 
      1   0.252574D+00 -0.368851D+01 -0.413764D+01 -0.278226D+01 -0.410092D+01
      2  -0.368851D+01  0.686213D+00  0.107201D+01 -0.410092D+01  0.148923D+01
      3  -0.413764D+01  0.107201D+01 -0.225164D+01  0.352084D+01 -0.348708D+01
                36            37            38            39            40 
      1   0.352084D+01 -0.405015D+00  0.562787D+00 -0.399301D+01 -0.521062D-01
      2  -0.348708D+01  0.562787D+00 -0.351427D+01 -0.419373D+01 -0.402957D+01
      3   0.893016D+00 -0.399301D+01 -0.419373D+01  0.336505D+01 -0.420945D+01
                41            42            43            44            45 
      1  -0.402957D+01 -0.420945D+01 -0.280156D+01 -0.419447D+01  0.282584D+01
      2   0.354506D+01  0.104833D+00 -0.419447D+01  0.133370D+01 -0.218602D+01
      3   0.104833D+00 -0.275144D+01  0.282584D+01 -0.218602D+01  0.167739D+00
                46            47            48            49            50 
      1  -0.705973D+00  0.504910D+00 -0.735909D+00  0.683274D+00  0.293320D+00
      2   0.504910D+00 -0.479360D+00  0.104132D+01  0.293320D+00  0.196231D+01
      3  -0.735909D+00  0.104132D+01 -0.218252D+01  0.389741D+00 -0.222016D+01
                51            52            53            54            55 
      1   0.389741D+00 -0.101457D+01  0.442356D+00 -0.373506D+00  0.343471D+01
      2  -0.222016D+01  0.442356D+00 -0.210021D+01  0.264801D+01 -0.193130D+01
      3   0.282154D+01 -0.373506D+00  0.264801D+01 -0.734197D+01 -0.108123D+01
                56            57            58            59            60 
      1  -0.193130D+01 -0.108123D+01 -0.321871D+01  0.294015D+01  0.179017D+01
      2   0.218360D+01  0.108899D+01  0.294015D+01 -0.465584D+01 -0.179187D+01
      3   0.108899D+01  0.858177D+00  0.179017D+01 -0.179187D+01 -0.187853D+01
                61            62            63            64            65 
      1  -0.720267D+00  0.102983D+01  0.993972D+00  0.527620D+01  0.250968D+01
      2   0.102983D+01 -0.117684D+01 -0.981140D+00  0.250968D+01  0.248009D+01
      3   0.993972D+00 -0.981140D+00 -0.183035D+01  0.899925D+00  0.763648D+00
                66            67            68            69            70 
      1   0.899925D+00  0.306901D+01  0.296286D+01  0.709356D+00  0.241065D+01
      2   0.763648D+00  0.296286D+01  0.325738D+01  0.404430D+00  0.140311D+01
      3   0.825251D+00  0.709356D+00  0.404430D+00  0.121229D+01  0.877823D+00
                71            72            73            74            75 
      1   0.140311D+01  0.877823D+00 -0.248434D+01  0.310513D+00 -0.174441D+01
      2   0.123698D+01  0.105745D+01  0.310513D+00 -0.269381D+00  0.690772D+00
      3   0.105745D+01  0.919344D+00 -0.174441D+01  0.690772D+00 -0.230702D+01
                76            77            78            79            80 
      1   0.128135D+01 -0.384088D+00  0.137529D+01 -0.215928D+01  0.626950D+00
      2  -0.384088D+00  0.817566D+00 -0.129729D+01  0.626950D+00 -0.145742D+01
      3   0.137529D+01 -0.129729D+01  0.233575D+01 -0.299562D+01  0.928405D+00
                81            82            83            84            85 
      1  -0.299562D+01 -0.638977D+01 -0.199012D+01  0.197314D+01 -0.126786D+01
      2   0.928405D+00 -0.199012D+01 -0.138624D+01  0.879026D+00 -0.116367D+01
      3  -0.663751D+01  0.197314D+01  0.879026D+00 -0.193063D+01  0.823711D+00
                86            87            88            89            90 
      1  -0.116367D+01  0.823711D+00  0.349082D+01  0.153231D+01 -0.217430D+01
      2  -0.167667D+01  0.487801D+00  0.153231D+01  0.131955D+01 -0.654781D+00
      3   0.487801D+00 -0.327045D+00 -0.217430D+01 -0.654781D+00  0.195360D+01
                91            92            93            94            95 
      1   0.104207D+01 -0.136056D+01 -0.251035D+00 -0.142306D+01  0.119953D+01
      2  -0.136056D+01  0.295388D+01  0.119582D+01  0.119953D+01 -0.772629D+01
      3  -0.251035D+00  0.119582D+01  0.733434D+00  0.588371D+00 -0.224387D+01
                96            97            98            99           100 
      1   0.588371D+00 -0.166950D+00  0.622083D+00 -0.210527D-02 -0.215916D+01
      2  -0.224387D+01  0.622083D+00 -0.177538D+01 -0.146335D+01  0.150020D+01
      3  -0.158377D+01 -0.210527D-02 -0.146335D+01 -0.162344D+01 -0.103420D+01
               101           102           103           104           105 
      1   0.150020D+01 -0.103420D+01  0.112216D+01 -0.106792D+01  0.110452D+01
      2  -0.107762D+01  0.118817D+01 -0.106792D+01  0.325137D+01 -0.186482D+01
      3   0.118817D+01 -0.157564D+01  0.110452D+01 -0.186482D+01  0.186488D+01
               106           107           108           109           110 
      1  -0.183937D+01  0.182356D+01 -0.197778D+01  0.219874D+01  0.187561D+01
      2   0.182356D+01 -0.336344D+01  0.266032D+01  0.187561D+01  0.351755D+01
      3  -0.197778D+01  0.266032D+01 -0.423857D+01  0.137843D+01  0.163104D+01
               111           112           113           114           115 
      1   0.137843D+01  0.144927D+01  0.184832D+01  0.102240D+01  0.127291D+01
      2   0.163104D+01  0.184832D+01  0.508915D+01  0.188552D+01  0.105119D+01
      3   0.132021D+01  0.102240D+01  0.188552D+01  0.180104D+01  0.624104D+00
               116           117           118           119           120 
      1   0.105119D+01  0.624104D+00 -0.571863D+01  0.624299D+00  0.307231D+01
      2   0.222186D+01  0.220093D+01  0.624299D+00 -0.931535D+00  0.460432D-01
      3   0.220093D+01  0.215846D+01  0.307231D+01  0.460432D-01 -0.281890D+01
               121           122           123           124           125 
      1  -0.833795D+00 -0.450212D+00  0.748536D+00  0.327615D+01 -0.271006D-01
      2  -0.450212D+00 -0.251114D+00  0.511977D+00 -0.271006D-01  0.950820D+00
      3   0.748536D+00  0.511977D+00 -0.388650D+00 -0.292461D+01  0.651160D+00
               126           127           128           129           130 
      1  -0.292461D+01  0.257026D+01 -0.228048D+01  0.529638D+00 -0.237779D+01
      2   0.651160D+00 -0.228048D+01  0.295450D+01  0.170161D+00  0.309522D+01
      3   0.345678D+01  0.529638D+00  0.170161D+00  0.500730D+00  0.140626D+00
               131           132           133           134           135 
      1   0.309522D+01  0.140626D+00 -0.389179D+00  0.837281D+00  0.250139D+00
      2  -0.696529D+01  0.365183D+00  0.837281D+00 -0.126306D+01 -0.651153D+00
      3   0.365183D+00 -0.117077D+01  0.250139D+00 -0.651153D+00 -0.361711D+00
               136           137           138           139           140 
      1  -0.329291D+01 -0.100291D+01  0.273617D+01 -0.676313D+00 -0.481546D+00
      2  -0.100291D+01 -0.117550D+01  0.150880D+01 -0.481546D+00 -0.143672D+01
      3   0.273617D+01  0.150880D+01 -0.399403D+01  0.909817D+00  0.125221D+01
               141           142           143           144           145 
      1   0.909817D+00  0.214312D+01  0.944664D+00 -0.232420D+01  0.405524D+01
      2   0.125221D+01  0.944664D+00  0.111012D+01 -0.122405D+01  0.127811D+01
      3  -0.931218D+00 -0.232420D+01 -0.122405D+01  0.513208D+01  0.273973D+01
               146           147           148           149           150 
      1   0.127811D+01  0.273973D+01  0.220158D+01  0.183274D+01  0.179827D+01
      2   0.173319D+01  0.113031D+01  0.183274D+01  0.192377D+01  0.138271D+01
      3   0.113031D+01  0.228510D+01  0.179827D+01  0.138271D+01  0.257291D+01
               151           152           153 
      1   0.206244D+01  0.104221D+01  0.179675D+01
      2   0.104221D+01  0.940769D+00  0.125137D+01
      3   0.179675D+01  0.125137D+01  0.339107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.862957D-02  0.869164D-02  0.851127D-02  0.130803D-01 -0.151534D-01
      2   0.194066D-01  0.995288D-02  0.499850D+01 -0.129379D-01 -0.296002D-01
      3  -0.129522D-02 -0.502296D+01  0.219433D-02  0.500252D+01  0.249329D-02
                 6             7             8             9            10 
      1  -0.500999D+01  0.486991D-02  0.499928D+01 -0.376840D-01  0.109140D+01
      2  -0.334359D-02 -0.499986D+01 -0.931856D-02  0.169660D-01 -0.690566D+01
      3   0.198946D-01  0.477542D-02  0.208956D-01  0.912084D-02 -0.988146D+00
                11            12            13            14            15 
      1   0.665303D+01  0.367189D+01  0.830699D+01 -0.186300D+01 -0.434552D+01
      2  -0.607865D+01  0.341594D+01 -0.564529D+01 -0.262779D+01 -0.776115D+01
      3   0.413692D+01  0.499265D+01  0.100977D+02 -0.314473D+01 -0.569240D+01
                16            17            18            19            20 
      1   0.424608D+01  0.712527D+00  0.793134D+00 -0.326661D+01 -0.202524D+01
      2  -0.357431D+01 -0.834050D+01  0.935148D+01  0.644679D+01  0.622492D+01
      3   0.451804D+01 -0.414262D+01  0.409775D+01 -0.404905D+01 -0.730534D+01
                21            22            23            24            25 
      1   0.727547D+01 -0.308336D+01 -0.291794D+01 -0.544714D+01  0.871180D+01
      2  -0.364347D+01  0.520696D+01 -0.427477D+01 -0.157914D+01 -0.951113D+01
      3  -0.295325D+01 -0.903455D+00  0.991710D+01  0.736093D+01 -0.193507D+01
                26            27            28            29            30 
      1   0.167102D+00  0.604104D+01  0.442270D+01  0.459989D+01 -0.711014D+01
      2  -0.300309D+01 -0.208226D+01  0.118336D+01  0.461157D+01  0.575760D+00
      3   0.632889D+01 -0.571260D+01  0.429245D+01 -0.856434D+01 -0.902664D+01
                31            32            33            34            35 
      1   0.500758D+01 -0.235453D+01  0.326796D+01 -0.840816D+01  0.979436D+01
      2   0.381287D+01  0.739172D+00  0.458115D+01 -0.409053D+01  0.594850D+01
      3  -0.154913D+01 -0.692821D+01 -0.575093D+01 -0.820893D+01 -0.524265D+01
                36            37            38            39            40 
      1  -0.190110D+01 -0.237672D+01 -0.909518D+01 -0.388029D+01 -0.103040D+02
      2  -0.183762D+01 -0.641988D+00 -0.458985D+01  0.117199D+02 -0.333563D+01
      3   0.243623D+01  0.700344D+00 -0.363557D+00  0.696358D+01  0.453238D+01
                41            42            43            44            45 
      1   0.705210D+01 -0.542147D+01 -0.440735D+01  0.136287D+01 -0.482336D+01
      2   0.610001D+01  0.478898D+01  0.503044D+01  0.525499D+01 -0.554978D+01
      3   0.227276D+00  0.421399D+01  0.566234D+01  0.302411D+01 -0.833249D+00
                46            47            48            49            50 
      1  -0.322653D+00  0.756871D+00  0.187802D-01 -0.487700D+00 -0.229730D+01
      2  -0.270083D+01  0.184362D+01 -0.246173D+01  0.273629D+01 -0.251959D+01
      3  -0.141570D+01 -0.103591D+00 -0.152295D+01  0.141439D+01 -0.210826D+01
                51            52            53            54            55 
      1   0.319408D-01 -0.505929D+00  0.413386D+01  0.722518D+00  0.263083D+01
      2   0.445384D+01 -0.512933D+01  0.445059D+01 -0.101122D+02  0.271631D+01
      3   0.298220D+01 -0.232116D+01  0.291582D+01 -0.395702D+01  0.277391D+01
                56            57            58            59            60 
      1  -0.383794D+01 -0.746043D+00 -0.365945D+01  0.696510D+01  0.124396D+00
      2  -0.642549D+00  0.160134D+01 -0.186804D+01  0.937475D+00 -0.180203D+01
      3  -0.580977D+01 -0.197212D+01 -0.262842D+01  0.909944D+01  0.273145D+01
                61            62            63            64            65 
      1  -0.162490D+01  0.296842D+01  0.991443D+00 -0.326079D+01 -0.292213D+01
      2  -0.734321D+00  0.538340D-01 -0.172922D+01  0.646682D+01  0.419736D+01
      3  -0.148498D+01  0.282208D+01  0.159060D+01 -0.359248D+00 -0.475080D+01
                66            67            68            69            70 
      1  -0.255751D+01 -0.337977D+01 -0.315923D+01 -0.303459D+01 -0.171169D+01
      2   0.471014D+01  0.414678D+01  0.391358D+01  0.421769D+01  0.231744D+01
      3  -0.951786D+00 -0.105124D+01 -0.439869D+01 -0.509430D+00 -0.234722D+00
                71            72            73            74            75 
      1  -0.767974D+00 -0.230834D+01 -0.207675D+01  0.209524D+01 -0.334394D+01
      2   0.293338D+01  0.324073D+01 -0.977844D+00 -0.766240D+00  0.286614D+01
      3  -0.192683D+01 -0.122891D+01  0.252702D+01 -0.209828D+01  0.282149D+01
                76            77            78            79            80 
      1   0.149013D+01 -0.306954D+01  0.250789D+01 -0.373106D+01  0.555001D+01
      2   0.405090D+00  0.131785D+01 -0.201252D+01 -0.955932D+00 -0.891497D+00
      3  -0.474443D+00  0.194481D+01 -0.280306D+01  0.262666D+01 -0.388581D+01
                81            82            83            84            85 
      1  -0.759753D+01  0.397529D+01  0.117954D+01 -0.400615D+01  0.187626D+01
      2   0.620225D+01 -0.655230D+01 -0.253929D+01  0.704009D+01 -0.209932D+01
      3   0.463318D+01  0.532281D+01 -0.194494D+01 -0.142766D+01  0.140700D+01
                86            87            88            89            90 
      1   0.132564D+01 -0.184834D+01 -0.340572D+01 -0.296524D-01  0.334425D+01
      2  -0.133028D+01  0.179238D+01  0.376591D+01  0.160774D+01 -0.553724D+01
      3  -0.124941D+01 -0.563877D+00 -0.251877D+01  0.116866D+01  0.181344D+01
                91            92            93            94            95 
      1   0.958691D+00 -0.139092D+01  0.817336D+00 -0.508569D+00  0.455547D+01
      2   0.161786D+01 -0.230228D+01  0.201423D+00 -0.298340D+01  0.378067D+01
      3  -0.395034D+01  0.361394D+01  0.134680D+01  0.667283D+01 -0.975496D+01
                96            97            98            99           100 
      1  -0.275294D+01 -0.670749D+00  0.112215D+01 -0.128488D+01  0.210408D+01
      2   0.174064D+01 -0.124553D+01  0.207813D+01  0.140036D+01  0.913838D+00
      3  -0.326474D+01  0.173141D+01 -0.294826D+01 -0.142975D+01 -0.246138D+01
               101           102           103           104           105 
      1  -0.188011D+01  0.406528D+01 -0.240622D+01  0.326082D+01 -0.579482D+01
      2  -0.164597D+01  0.328075D+01 -0.771914D+00  0.214292D+01 -0.302199D+01
      3  -0.317388D-01 -0.436881D+00  0.242826D+01  0.159217D+01  0.278396D+00
               106           107           108           109           110 
      1   0.362495D+01 -0.291429D+01  0.924668D+01 -0.138053D+01 -0.891402D-01
      2   0.277643D+00 -0.278495D+01  0.558424D+01 -0.307077D+01 -0.209992D+01
      3  -0.239641D+01 -0.934439D+00 -0.836259D+00  0.646568D+01  0.380011D+01
               111           112           113           114           115 
      1  -0.238855D+01 -0.936508D+00  0.215684D+00 -0.406056D+01 -0.520339D+00
      2  -0.298192D+00 -0.264385D+01 -0.252322D+01 -0.135565D+01 -0.264896D+01
      3   0.347110D+01  0.642103D+01  0.616054D+01  0.344807D+01  0.429024D+01
               116           117           118           119           120 
      1  -0.828541D+00 -0.305255D+01 -0.458677D+01 -0.214595D+01  0.471094D+01
      2  -0.209458D+01 -0.127055D+01  0.120317D+01 -0.438516D+00  0.343136D+01
      3   0.304217D+01  0.264666D+01 -0.808711D+01 -0.281759D+01  0.500743D+01
               121           122           123           124           125 
      1  -0.111717D+01 -0.119912D+01 -0.903370D-01  0.444677D+01  0.169965D+01
      2  -0.122431D-01 -0.256191D+00  0.213467D+00 -0.796356D+00 -0.514710D+00
      3  -0.527576D+00 -0.129381D+01  0.137531D+01  0.536360D+01  0.250770D+01
               126           127           128           129           130 
      1  -0.473931D+01 -0.281886D+01  0.493970D+01  0.206838D+01  0.490359D+01
      2  -0.281633D+01 -0.309078D+01  0.344080D+01  0.123730D+01  0.374719D+01
      3  -0.395051D+01 -0.165876D+01 -0.160733D+01 -0.650399D+00  0.256675D+01
               131           132           133           134           135 
      1  -0.100142D+02 -0.387199D+01  0.117185D+01 -0.126606D+01 -0.176839D+01
      2  -0.461896D+01 -0.248980D+01 -0.248822D+00 -0.142189D+01 -0.928275D+00
      3   0.311398D+01 -0.300691D+00  0.122909D+00  0.357893D+00  0.247595D+00
               136           137           138           139           140 
      1   0.766567D+00 -0.190265D+01 -0.143212D+01  0.226882D+00 -0.153700D+01
      2   0.843243D+01  0.216438D+01 -0.435071D+01  0.232701D+01  0.124429D+01
      3   0.399582D+01 -0.476380D+00 -0.292742D+01  0.188042D+01  0.695564D+00
               141           142           143           144           145 
      1  -0.137911D+00 -0.458959D+00  0.275240D+01  0.269618D+01  0.414877D+01
      2  -0.187333D+01 -0.747023D+01 -0.227369D+01  0.563478D+01 -0.507677D+01
      3  -0.145308D+01 -0.320374D+01 -0.500489D+00  0.274059D+01 -0.309863D+01
               146           147           148           149           150 
      1   0.505631D+01  0.282815D+01  0.407520D+01  0.506909D+01  0.214044D+01
      2  -0.140623D+01 -0.581553D+00 -0.300956D+01 -0.199556D+01  0.110796D+00
      3  -0.439488D+01 -0.271799D+01 -0.155679D+01 -0.388434D+01 -0.208945D+01
               151           152           153 
      1   0.323017D+01  0.428441D+01  0.365974D+01
      2  -0.371830D+01 -0.983902D+00  0.450115D+00
      3  -0.201618D+01 -0.260713D+01 -0.226687D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378435D+01 -0.295030D+01  0.270980D+01 -0.296493D+01 -0.155343D+01
      2  -0.144691D+01  0.313576D+01 -0.124076D+01  0.320149D+01  0.116397D+01
      3  -0.233745D+01 -0.185455D+00 -0.146904D+01 -0.236563D+00  0.389456D+00
      4  -0.294905D+01 -0.263294D+01 -0.779710D+00 -0.266854D+01  0.316688D+01
      5   0.264159D+01 -0.772477D+00 -0.356970D+01 -0.835597D+00 -0.118996D+01
      6  -0.793560D+00 -0.128828D+01 -0.203782D+00 -0.120998D+01 -0.366027D+01
                 6             7             8             9            10 
      1  -0.792957D+00  0.265469D+01 -0.825828D+00 -0.236136D+01 -0.638897D+01
      2  -0.360614D+01 -0.123240D+01 -0.362067D+01  0.302524D+00 -0.386402D+01
      3   0.439910D+01 -0.142230D+01  0.444649D+01  0.205883D+01  0.102530D+02
      4  -0.121039D+01 -0.816492D+00 -0.128233D+01 -0.212575D+00 -0.160734D+01
      5  -0.315719D+00 -0.347278D+01 -0.225296D+00 -0.147912D+01 -0.610544D+01
      6  -0.747128D+00 -0.199124D+00 -0.765137D+00  0.447313D+01 -0.453970D+01
                11            12            13            14            15 
      1  -0.471224D+01 -0.213133D+01 -0.471422D+01 -0.881995D+01 -0.152553D+02
      2  -0.665735D+01  0.377259D+01 -0.560318D+01  0.532564D+01  0.170671D+01
      3   0.113696D+02 -0.164126D+01  0.103174D+02  0.349431D+01  0.135486D+02
      4  -0.135456D+02 -0.107458D+02 -0.148333D+02  0.254966D+01  0.190221D+01
      5  -0.932702D+01  0.637180D+01 -0.103598D+02  0.731024D+01  0.322045D+01
      6   0.440899D+01  0.943959D+01  0.521668D+01 -0.410964D+01 -0.765248D+01
                16            17            18            19            20 
      1  -0.282278D+01 -0.154685D+02  0.146532D+02 -0.933902D+01 -0.984889D+01
      2   0.311296D+01  0.244414D+01 -0.138391D+01  0.272100D+01  0.684661D+01
      3  -0.290175D+00  0.130244D+02 -0.132693D+02  0.661802D+01  0.300228D+01
      4  -0.119185D+02  0.734891D+00 -0.119340D+01 -0.443500D+01  0.139250D+01
      5   0.644959D+01  0.242100D+01 -0.109924D+01  0.552941D+01  0.760633D+01
      6   0.750587D+01 -0.768414D+01  0.859351D+01  0.686346D+01  0.115845D+02
                21            22            23            24            25 
      1   0.577903D+01 -0.972403D+01  0.149335D+02  0.991579D+01  0.666777D+01
      2   0.946234D+01  0.531221D+01 -0.152954D+02 -0.120632D+02  0.840290D+01
      3  -0.152414D+02  0.441182D+01  0.361815D+00  0.214738D+01 -0.150707D+02
      4   0.116179D+02  0.256310D+01  0.354875D+01  0.503601D+01  0.127504D+02
      5  -0.651818D+01  0.798106D+01  0.428066D+01  0.882564D+01 -0.782828D+01
      6   0.239912D+00  0.103425D+02 -0.820231D+01 -0.190320D+01  0.186176D+00
                26            27            28            29            30 
      1   0.107344D+02 -0.561560D+01 -0.338364D+01  0.750390D+01  0.117974D+02
      2  -0.120587D+02  0.122728D+02  0.520540D+01 -0.963469D+01 -0.180964D+02
      3   0.132437D+01 -0.665722D+01 -0.182177D+01  0.213079D+01  0.629903D+01
      4   0.525340D+01  0.653099D+00  0.239805D+01 -0.111218D+01 -0.245321D+01
      5   0.731173D+01 -0.981613D+01  0.713433D+01  0.305104D+01 -0.113428D+02
      6  -0.113248D+01  0.122067D+01 -0.593357D+01 -0.142961D+02  0.468808D+01
                31            32            33            34            35 
      1   0.733173D+01  0.593407D+01  0.639049D+01  0.122300D+02  0.518181D+01
      2  -0.894196D+01 -0.289751D+01 -0.518927D+00 -0.178124D+02 -0.173264D+00
      3   0.161023D+01 -0.303656D+01 -0.587157D+01  0.558233D+01 -0.500855D+01
      4  -0.154459D+00 -0.110090D+02 -0.121908D+02 -0.160652D+01 -0.131539D+02
      5   0.504004D+01 -0.725140D+01  0.839502D+00 -0.114826D+02  0.250594D+01
      6  -0.131301D+02  0.222256D+01 -0.955806D+01  0.548478D+01 -0.105777D+02
                36            37            38            39            40 
      1  -0.208642D+01  0.307085D+01  0.179101D+01 -0.108482D+02  0.198065D+01
      2  -0.301773D+01  0.439794D+01  0.149487D+02  0.283564D+01  0.146243D+02
      3   0.510415D+01 -0.746879D+01 -0.167397D+02  0.801258D+01 -0.166049D+02
      4   0.872208D+01 -0.149790D+01 -0.834423D+01  0.570207D-01 -0.894003D+01
      5   0.169976D+00 -0.233570D+01 -0.288695D+01 -0.112662D+02 -0.404980D+01
      6   0.301607D+01  0.190590D+01 -0.385186D+01 -0.144347D+02 -0.442925D+01
                41            42            43            44            45 
      1  -0.326904D+01 -0.250910D+01 -0.115510D+02 -0.175741D+01  0.422699D+00
      2  -0.786680D+01  0.423565D+01  0.440610D+01  0.323774D+01  0.392574D+01
      3   0.111358D+02 -0.172655D+01  0.714491D+01 -0.148032D+01 -0.434844D+01
      4   0.101295D+02  0.321846D+01 -0.555489D+00  0.535191D+01 -0.853789D+01
      5  -0.649936D+01 -0.132160D+02 -0.971347D+01 -0.122966D+02  0.816690D+01
      6   0.350877D+01  0.844010D+00 -0.133645D+02  0.105140D+01 -0.515172D+01
                46            47            48            49            50 
      1  -0.180016D+01  0.342740D+01 -0.587309D+01  0.286466D+01 -0.638891D+01
      2  -0.550129D+00 -0.996463D+00 -0.147003D+01 -0.834476D+00  0.249366D+01
      3   0.235029D+01 -0.243094D+01  0.734312D+01 -0.203018D+01  0.389526D+01
      4  -0.735161D+00  0.241686D+01 -0.224312D+00  0.380492D+01  0.244229D+01
      5   0.293117D+01 -0.812711D+00  0.319430D+01 -0.164252D+01 -0.299378D+01
      6  -0.213506D+01  0.290595D+01 -0.395790D+01  0.184601D+00 -0.927219D+01
                51            52            53            54            55 
      1   0.998803D+01 -0.429183D+01  0.975973D+01 -0.210499D+02  0.136249D+02
      2   0.678535D-01  0.117263D+01 -0.296662D+00 -0.106549D+02 -0.775162D+01
      3  -0.100559D+02  0.311920D+01 -0.946307D+01  0.317048D+02 -0.587330D+01
      4  -0.306834D+01 -0.662323D+00 -0.345421D+01  0.394904D+01 -0.862176D+01
      5   0.376056D+01  0.557216D+01  0.324344D+01 -0.954934D+01 -0.101802D+02
      6   0.122562D+02 -0.134822D+01  0.121176D+02 -0.163466D+02  0.517497D+01
                56            57            58            59            60 
      1  -0.620907D+01 -0.318787D+01 -0.891694D+01  0.327002D+01  0.162028D+01
      2   0.480519D+01  0.401656D+01  0.601759D+01  0.668621D+00 -0.399021D+01
      3   0.140388D+01 -0.828697D+00  0.289935D+01 -0.393864D+01  0.236993D+01
      4   0.110005D+02  0.434815D+01  0.126478D+02 -0.162486D+02 -0.524977D+01
      5   0.713404D+01  0.732005D+01  0.103417D+02 -0.807339D+01 -0.889552D+01
      6  -0.558002D+01 -0.378834D+01 -0.663310D+01  0.124876D+02  0.775958D+01
                61            62            63            64            65 
      1  -0.206762D+01  0.190321D+01 -0.112380D+01  0.236477D+02  0.964652D+01
      2   0.374981D+01 -0.302092D+01 -0.392266D+01 -0.647998D+01  0.102806D+01
      3  -0.168219D+01  0.111771D+01  0.504646D+01 -0.171677D+02 -0.106746D+02
      4   0.399767D+01 -0.384437D+01 -0.376695D+01  0.159077D+02  0.140609D+02
      5   0.707428D+01 -0.575682D+01 -0.702959D+01 -0.180553D+01 -0.474705D-01
      6  -0.399274D+01  0.677417D+01  0.336835D+01 -0.168956D+01 -0.279813D+01
                66            67            68            69            70 
      1   0.425347D+01  0.109248D+02  0.546781D+01  0.320135D+01  0.811893D+01
      2  -0.203078D+00  0.784319D+00  0.599869D+01  0.176675D+01 -0.201944D+01
      3  -0.405039D+01 -0.117091D+02 -0.114665D+02 -0.496810D+01 -0.609949D+01
      4   0.353789D+01  0.154750D+02  0.145514D+02  0.238743D+01  0.617655D+01
      5   0.471710D+01 -0.706675D+00 -0.106771D+01  0.369383D+01  0.365917D+01
      6   0.381365D+00 -0.274780D+01 -0.196779D+01  0.342028D+01  0.566628D+00
                71            72            73            74            75 
      1   0.337274D+01  0.156029D+01  0.759956D+01 -0.547664D+00  0.349356D+01
      2   0.222665D+01 -0.188341D+00 -0.853507D+01  0.168527D+01 -0.931286D+01
      3  -0.559939D+01 -0.137195D+01  0.935504D+00 -0.113761D+01  0.581930D+01
      4   0.532483D+01  0.389736D+01  0.142446D+01  0.300618D+01 -0.604041D+00
      5   0.272376D+01  0.461112D+01  0.104256D+02 -0.290013D+01  0.133317D+02
      6   0.241919D+01  0.113288D+01  0.408005D+00  0.248593D+00  0.211422D+01
                76            77            78            79            80 
      1  -0.244830D+01 -0.158752D+01 -0.517136D+00  0.382031D+01 -0.174720D+01
      2   0.338341D+01 -0.990299D+00  0.723351D+01 -0.104251D+02  0.597959D+01
      3  -0.935115D+00  0.257782D+01 -0.671637D+01  0.660477D+01 -0.423239D+01
      4   0.221719D+01 -0.371783D+01  0.286606D+01  0.138310D+00  0.382846D+01
      5  -0.569501D+01  0.341191D+01 -0.683001D+01  0.149735D+02 -0.343671D+01
      6   0.527093D+00 -0.248717D+01  0.361683D+01  0.225168D+01  0.499418D+01
                81            82            83            84            85 
      1  -0.326187D+01  0.270802D+02  0.609373D+01 -0.817783D+01  0.465345D+01
      2  -0.198338D+02 -0.828377D+01  0.126663D+01  0.733483D+00  0.165746D+01
      3   0.230957D+02 -0.187965D+02 -0.736036D+01  0.744434D+01 -0.631090D+01
      4  -0.121166D+00  0.179317D+02  0.110284D+02 -0.606319D+01  0.962325D+01
      5   0.218486D+02 -0.417428D+01 -0.148910D+01  0.761191D+01 -0.135162D+01
      6   0.441427D+01 -0.406380D+01 -0.216240D+01  0.462545D+01 -0.251848D+01
                86            87            88            89            90 
      1   0.102099D+01 -0.200586D+01 -0.117483D+02 -0.215582D+01  0.527594D+01
      2   0.445343D+01 -0.184210D+00  0.245124D+01 -0.158625D+01 -0.327376D+01
      3  -0.547442D+01  0.219007D+01  0.929707D+01  0.374207D+01 -0.200218D+01
      4   0.689592D+01 -0.409808D+01 -0.930833D+01 -0.700386D+01  0.479002D+01
      5  -0.184015D+01  0.549173D+00  0.752766D+01  0.148958D+01 -0.690539D+01
      6  -0.389397D+00  0.323611D+01  0.445807D+01  0.319794D+01 -0.589040D+01
                91            92            93            94            95 
      1  -0.206770D+01  0.839369D+01  0.243759D+01  0.655597D+01 -0.231233D+02
      2   0.404659D+01 -0.103178D+02 -0.203259D+01 -0.607216D+01  0.336364D+02
      3  -0.197889D+01  0.192410D+01 -0.404997D+00 -0.483817D+00 -0.105131D+02
      4  -0.384695D+01  0.425716D+01  0.222941D+00  0.569276D+01  0.441185D+01
      5  -0.316025D+01  0.185972D+01  0.217904D+01  0.240701D+01 -0.338270D+00
      6   0.243338D+01 -0.625020D+01 -0.450595D+01 -0.327307D+01  0.184755D+02
                96            97            98            99           100 
      1  -0.833661D+01  0.118074D+01 -0.767121D+01 -0.514851D+01  0.469369D+01
      2   0.744957D+01 -0.174899D+01  0.655564D+01  0.223162D+01  0.450388D+00
      3   0.887035D+00  0.568247D+00  0.111557D+01  0.291689D+01 -0.514408D+01
      4   0.116319D+01 -0.977363D-02  0.105390D+01  0.428496D+00 -0.905936D+01
      5   0.332499D+00  0.302554D+01 -0.198756D+00  0.149027D+01  0.363465D+01
      6   0.114555D+02 -0.188556D+01  0.106010D+02  0.707080D+01 -0.378591D+01
               101           102           103           104           105 
      1  -0.171204D+01  0.105939D+01 -0.107777D+01 -0.577615D+01  0.167710D+01
      2  -0.329711D+01  0.275138D+01 -0.365368D+01  0.142663D+02 -0.679338D+01
      3   0.500915D+01 -0.381077D+01  0.473145D+01 -0.849016D+01  0.511629D+01
      4   0.895973D+01 -0.562924D+01  0.810683D+01 -0.945260D+01  0.713302D+01
      5  -0.324307D+01  0.695683D+01 -0.284113D+01  0.442111D+01 -0.378663D+01
      6   0.494999D+01 -0.555001D+01  0.488952D+01 -0.835166D+01  0.101431D+02
               106           107           108           109           110 
      1   0.206454D+01  0.368735D+01 -0.268275D+01 -0.276658D+01 -0.875472D+01
      2   0.263671D+01 -0.103712D+02  0.314336D+01  0.440608D+01  0.130173D+02
      3  -0.470126D+01  0.668384D+01 -0.460616D+00 -0.163950D+01 -0.426261D+01
      4  -0.862309D+01  0.102716D+02 -0.807259D+01  0.939593D+01  0.764629D+01
      5   0.742520D+01 -0.502865D+01  0.957524D+01  0.310323D+01  0.188675D+01
      6  -0.625901D+01  0.118558D+02 -0.160668D+02  0.563564D+01  0.844317D+01
               111           112           113           114           115 
      1  -0.563120D+01 -0.648747D+01 -0.165886D+02 -0.824954D+01 -0.477923D+01
      2   0.423920D+01  0.839269D+01  0.248896D+02  0.795954D+01  0.383029D+01
      3   0.139200D+01 -0.190522D+01 -0.830102D+01  0.290002D+00  0.948934D+00
      4   0.413296D+01  0.726919D+01  0.540954D+01  0.310760D+01  0.424983D+01
      5   0.385330D+01  0.125420D+01  0.162649D+01  0.230838D+00  0.420572D+01
      6   0.667352D+01  0.580890D+01  0.135542D+02  0.112459D+02  0.381994D+01
               116           117           118           119           120 
      1  -0.890920D+01 -0.750005D+01  0.192837D+02  0.403051D+00 -0.763432D+01
      2   0.872174D+01  0.428859D+01 -0.140521D+02 -0.251821D+01  0.101781D+02
      3   0.187453D+00  0.321146D+01 -0.523162D+01  0.211515D+01 -0.254382D+01
      4   0.292384D+01  0.156494D+01 -0.122157D+02  0.644993D+01  0.654104D+01
      5   0.418431D+00  0.126462D+01 -0.163895D+02  0.100158D+01  0.138458D+02
      6   0.123746D+02  0.103144D+02  0.700844D+01 -0.178348D+01 -0.684961D+01
               121           122           123           124           125 
      1   0.272392D+01  0.862723D+00 -0.140685D+01 -0.828874D+01 -0.171180D+01
      2  -0.316764D+01 -0.776907D+00  0.312568D+01  0.104133D+02  0.291563D+01
      3   0.443717D+00 -0.858160D-01 -0.171883D+01 -0.212458D+01 -0.120383D+01
      4   0.368263D+01  0.719969D+00 -0.131566D+01  0.731033D+01 -0.266595D+01
      5  -0.179411D+01 -0.217618D+01  0.150118D+01  0.140848D+02 -0.139556D+01
      6  -0.857569D+00  0.106030D+00  0.305831D+01 -0.647410D+01  0.520777D+01
               126           127           128           129           130 
      1   0.209479D+01  0.501628D+01 -0.207816D+01 -0.265066D+00 -0.238713D+01
      2  -0.907355D+01  0.185278D+01 -0.765195D+01 -0.114731D+01 -0.759356D+01
      3   0.697876D+01 -0.686906D+01  0.973011D+01  0.141238D+01  0.998070D+01
      4  -0.633045D+01 -0.107887D+02  0.131028D+02 -0.502090D+00  0.135592D+02
      5  -0.134861D+02  0.486520D+01 -0.395344D+01  0.452328D+01 -0.461023D+01
      6   0.727267D+01 -0.437615D+01  0.639857D+01 -0.134953D+01  0.620114D+01
               131           132           133           134           135 
      1  -0.636760D+01  0.265887D+01 -0.102539D+01  0.548489D+00 -0.660140D+00
      2   0.242221D+02  0.126005D+01 -0.105851D+01  0.397513D+01  0.165716D+01
      3  -0.178545D+02 -0.391892D+01  0.208390D+01 -0.452362D+01 -0.997021D+00
      4  -0.185356D+02  0.495470D+00  0.211231D+01 -0.244992D+01 -0.188369D+01
      5   0.589427D+01 -0.212431D+01  0.269805D+01 -0.105492D+01 -0.107645D+01
      6  -0.136767D+02  0.629928D+01 -0.587282D+00  0.344995D+01  0.759786D+00
               136           137           138           139           140 
      1  -0.234901D+01 -0.362799D+01  0.916010D+01 -0.265460D+01 -0.384561D+01
      2  -0.432647D+01  0.420433D+00  0.540202D+01 -0.348100D+00  0.245461D+01
      3   0.667548D+01  0.320755D+01 -0.145621D+02  0.300270D+01  0.139100D+01
      4   0.665237D+01  0.458706D+01 -0.413751D+01  0.450574D+01  0.958076D+00
      5  -0.130275D+02 -0.294189D+01  0.114813D+02 -0.210034D+01 -0.211165D+01
      6  -0.534947D+01 -0.671137D+01  0.910709D+01 -0.387786D+01 -0.624443D+01
               141           142           143           144           145 
      1   0.495090D+01  0.725502D+01  0.522764D+01 -0.146278D+02  0.102644D+02
      2  -0.108055D+01  0.286105D+01 -0.478296D+00 -0.984824D+01 -0.127754D+02
      3  -0.387035D+01 -0.101161D+02 -0.474935D+01  0.244761D+02  0.251104D+01
      4  -0.240204D+01 -0.362698D+01 -0.218294D+01  0.416154D+01  0.203966D+01
      5   0.323982D+01  0.103896D+02  0.337779D+01 -0.922768D+01  0.168877D+02
      6   0.820571D+01  0.632375D+01  0.819397D+01 -0.117231D+02  0.323700D+01
               146           147           148           149           150 
      1   0.317241D+01  0.302466D+01  0.434489D+01  0.842721D+00 -0.131191D+01
      2  -0.607573D+01 -0.987134D+01 -0.716807D+01 -0.176966D+01 -0.660379D+01
      3   0.290332D+01  0.684668D+01  0.282318D+01  0.926934D+00  0.791570D+01
      4   0.520896D+01  0.654870D+00  0.492666D+01  0.417288D+01  0.220015D+01
      5   0.580850D+01  0.147989D+02  0.896279D+01  0.659714D+01  0.897466D+01
      6   0.578200D+01  0.337057D+01  0.548127D+01  0.798062D+01  0.580844D+01
               151           152           153 
      1   0.259982D+01 -0.150808D+00 -0.288101D+01
      2  -0.872323D+01 -0.443273D+01 -0.116172D+02
      3   0.612341D+01  0.458353D+01  0.144982D+02
      4   0.392071D+00  0.129470D+01  0.195212D+01
      5   0.128898D+02  0.589460D+01  0.125168D+02
      6   0.350659D+01  0.540427D+01  0.351577D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 18:48:59 2022, MaxMem=  5368709120 cpu:            6995.5 elap:             876.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44184 -10.41844 -10.41844 -10.41844 -10.41836
 Alpha  occ. eigenvalues --   -0.96357  -0.81762  -0.81761  -0.81760  -0.65333
 Alpha  occ. eigenvalues --   -0.56278  -0.56278  -0.56278  -0.50996  -0.50996
 Alpha  occ. eigenvalues --   -0.46818  -0.46818  -0.46818  -0.41794  -0.41794
 Alpha  occ. eigenvalues --   -0.41793
 Alpha virt. eigenvalues --   -0.00921   0.00372   0.00373   0.00373   0.02435
 Alpha virt. eigenvalues --    0.02435   0.02435   0.02779   0.02779   0.05331
 Alpha virt. eigenvalues --    0.05331   0.05331   0.07038   0.08779   0.08780
 Alpha virt. eigenvalues --    0.08780   0.12934   0.12934   0.12934   0.13391
 Alpha virt. eigenvalues --    0.14693   0.14693   0.15087   0.15087   0.15087
 Alpha virt. eigenvalues --    0.17222   0.17223   0.17223   0.17762   0.17762
 Alpha virt. eigenvalues --    0.17763   0.20178   0.24986   0.24986   0.27628
 Alpha virt. eigenvalues --    0.27628   0.27628   0.30731   0.30732   0.30732
 Alpha virt. eigenvalues --    0.31603   0.31604   0.31604   0.35812   0.35812
 Alpha virt. eigenvalues --    0.35812   0.36690   0.39769   0.39770   0.41280
 Alpha virt. eigenvalues --    0.41281   0.41282   0.41594   0.42602   0.42602
 Alpha virt. eigenvalues --    0.42603   0.44441   0.44441   0.44441   0.48897
 Alpha virt. eigenvalues --    0.48898   0.49101   0.51169   0.51169   0.51169
 Alpha virt. eigenvalues --    0.52151   0.52152   0.52152   0.52497   0.52498
 Alpha virt. eigenvalues --    0.57772   0.57772   0.57773   0.58097   0.59417
 Alpha virt. eigenvalues --    0.59418   0.59418   0.63546   0.63546   0.63547
 Alpha virt. eigenvalues --    0.64258   0.64258   0.64259   0.65102   0.67123
 Alpha virt. eigenvalues --    0.67124   0.67125   0.68087   0.73809   0.73809
 Alpha virt. eigenvalues --    0.73914   0.73915   0.73915   0.80394   0.80394
 Alpha virt. eigenvalues --    0.80395   0.80944   0.80944   0.80945   0.81887
 Alpha virt. eigenvalues --    0.81888   0.83914   0.83914   0.83915   0.90519
 Alpha virt. eigenvalues --    0.90520   0.90521   0.95662   0.96605   0.96606
 Alpha virt. eigenvalues --    0.96607   0.97590   0.97590   1.07772   1.07774
 Alpha virt. eigenvalues --    1.12957   1.12958   1.12959   1.20937   1.21912
 Alpha virt. eigenvalues --    1.21913   1.21914   1.25058   1.25059   1.25059
 Alpha virt. eigenvalues --    1.40324   1.40324   1.40325   1.44753   1.44754
 Alpha virt. eigenvalues --    1.44755   1.54098   1.54099   1.54100   1.62174
 Alpha virt. eigenvalues --    1.63329   1.63330   1.67066   1.67068   1.67069
 Alpha virt. eigenvalues --    1.69940   1.69943   1.76631   1.84404   1.84406
 Alpha virt. eigenvalues --    1.84407   1.88421   1.88422   1.89193   1.89194
 Alpha virt. eigenvalues --    1.89194   1.91999   1.92003   1.92004   1.98776
 Alpha virt. eigenvalues --    1.98776   1.98777   2.08682   2.08682   2.08683
 Alpha virt. eigenvalues --    2.09141   2.11314   2.11317   2.11317   2.14092
 Alpha virt. eigenvalues --    2.14094   2.18576   2.18580   2.18582   2.30513
 Alpha virt. eigenvalues --    2.30514   2.30516   2.31897   2.31900   2.36282
 Alpha virt. eigenvalues --    2.38744   2.38746   2.38746   2.42803   2.42805
 Alpha virt. eigenvalues --    2.42806   2.52918   2.52919   2.60670   2.60912
 Alpha virt. eigenvalues --    2.60914   2.60915   2.67429   2.67431   2.67432
 Alpha virt. eigenvalues --    2.75317   2.75321   2.75322   2.82962   2.82962
 Alpha virt. eigenvalues --    2.82963   2.96854   3.07759   3.07763   3.25432
 Alpha virt. eigenvalues --    3.25437   3.25440
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.483958  -0.525551  -0.525586  -0.525583  -0.525326   0.116612
     2  C   -0.525551   5.419465  -0.205820  -0.205726  -0.205612   0.078916
     3  C   -0.525586  -0.205820   5.419441  -0.205673  -0.205607   0.014438
     4  C   -0.525583  -0.205726  -0.205673   5.419583  -0.205698   0.014457
     5  C   -0.525326  -0.205612  -0.205607  -0.205698   5.419060  -0.030083
     6  H    0.116612   0.078916   0.014438   0.014457  -0.030083   2.236944
     7  H    0.117010   0.078498   0.014418  -0.030105   0.014443  -0.580239
     8  H    0.117236   0.078536  -0.030123   0.014373   0.014397  -0.580184
     9  H    0.117120   0.013856   0.078704   0.014911  -0.030093  -0.098226
    10  H    0.117047  -0.030116   0.078614   0.013908   0.014873   0.025529
    11  H    0.116734   0.014973   0.078600  -0.030083   0.013975   0.019677
    12  H    0.117187   0.014517   0.014301   0.078392  -0.030090  -0.098244
    13  H    0.116699   0.014354  -0.030102   0.078740   0.014561   0.019642
    14  H    0.117004  -0.030100   0.014542   0.078773   0.014253   0.025554
    15  H    0.117085   0.014170   0.014579  -0.030093   0.078769   0.025547
    16  H    0.116894  -0.030064   0.014211   0.014642   0.078472  -0.034238
    17  H    0.117088   0.014589  -0.030063   0.014164   0.078635   0.025552
               7          8          9         10         11         12
     1  C    0.117010   0.117236   0.117120   0.117047   0.116734   0.117187
     2  C    0.078498   0.078536   0.013856  -0.030116   0.014973   0.014517
     3  C    0.014418  -0.030123   0.078704   0.078614   0.078600   0.014301
     4  C   -0.030105   0.014373   0.014911   0.013908  -0.030083   0.078392
     5  C    0.014443   0.014397  -0.030093   0.014873   0.013975  -0.030090
     6  H   -0.580239  -0.580184  -0.098226   0.025529   0.019677  -0.098244
     7  H    2.236919  -0.580210   0.019620   0.025568  -0.098252   0.025554
     8  H   -0.580210   2.236746   0.025538  -0.034239   0.025554   0.019650
     9  H    0.019620   0.025538   2.236823  -0.580239  -0.580273  -0.098257
    10  H    0.025568  -0.034239  -0.580239   2.236974  -0.580183   0.019613
    11  H   -0.098252   0.025554  -0.580273  -0.580183   2.236989   0.025571
    12  H    0.025554   0.019650  -0.098257   0.019613   0.025571   2.236731
    13  H    0.025547  -0.098254   0.025549   0.025546  -0.034238  -0.580218
    14  H   -0.034239   0.025544   0.019676  -0.098249   0.025531  -0.580189
    15  H   -0.098276   0.019634   0.025532   0.019674  -0.098262  -0.034240
    16  H    0.025556   0.025559   0.025570  -0.098276   0.019605   0.025549
    17  H    0.019651  -0.098260  -0.034238   0.025552   0.025565   0.025554
              13         14         15         16         17
     1  C    0.116699   0.117004   0.117085   0.116894   0.117088
     2  C    0.014354  -0.030100   0.014170  -0.030064   0.014589
     3  C   -0.030102   0.014542   0.014579   0.014211  -0.030063
     4  C    0.078740   0.078773  -0.030093   0.014642   0.014164
     5  C    0.014561   0.014253   0.078769   0.078472   0.078635
     6  H    0.019642   0.025554   0.025547  -0.034238   0.025552
     7  H    0.025547  -0.034239  -0.098276   0.025556   0.019651
     8  H   -0.098254   0.025544   0.019634   0.025559  -0.098260
     9  H    0.025549   0.019676   0.025532   0.025570  -0.034238
    10  H    0.025546  -0.098249   0.019674  -0.098276   0.025552
    11  H   -0.034238   0.025531  -0.098262   0.019605   0.025565
    12  H   -0.580218  -0.580189  -0.034240   0.025549   0.025554
    13  H    2.237110  -0.580269   0.025551   0.019673  -0.098276
    14  H   -0.580269   2.236836   0.025559  -0.098267   0.019626
    15  H    0.025551   0.025559   2.237170  -0.580298  -0.580321
    16  H    0.019673  -0.098267  -0.580298   2.237208  -0.580281
    17  H   -0.098276   0.019626  -0.580321  -0.580281   2.237024
 Mulliken charges:
               1
     1  C   -3.785627
     2  C    1.491114
     3  C    1.491125
     4  C    1.491017
     5  C    1.491071
     6  H   -0.181654
     7  H   -0.181463
     8  H   -0.181497
     9  H   -0.181575
    10  H   -0.181595
    11  H   -0.181483
    12  H   -0.181380
    13  H   -0.181615
    14  H   -0.181585
    15  H   -0.181779
    16  H   -0.181514
    17  H   -0.181561
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.785627
     2  C    0.946501
     3  C    0.946472
     4  C    0.946438
     5  C    0.946217
 Electronic spatial extent (au):  <R**2>=            484.2697
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0001
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.5867   YY=            -35.5866   ZZ=            -35.5865
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3812  YYY=             -1.0632  ZZZ=             -0.8600  XYY=              1.7121
  XXY=              0.0183  XXZ=              1.3707  XZZ=             -1.3313  YZZ=              1.0449
  YYZ=             -0.5110  XYZ=              1.8349
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -233.6998 YYYY=           -232.6736 ZZZZ=           -232.9849 XXXY=              1.1179
 XXXZ=             -1.0192 YYYX=             -1.2008 YYYZ=              1.3875 ZZZX=              0.5450
 ZZZY=             -1.7076 XXYY=            -76.5481 XXZZ=            -76.2302 YYZZ=            -77.2401
 XXYZ=              0.3191 YYXZ=              0.4746 ZZXY=              0.0827
 N-N= 1.985943013625D+02 E-N=-8.535445951029D+02  KE= 1.961274434663D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 18:49:00 2022, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290719D-06-2.40208704D-06-2.94381933D-06
 Polarizability= 6.33545600D+01 1.19950017D-04 6.33541331D+01
                 3.32805357D-04-2.65587196D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0169    0.0127       -0.0084   -0.0035
 2     -0.0169   -0.0127        0.0169    0.0132        0.0084    0.0023
 3      0.0084    0.0035       -0.0108   -0.0052       -0.0182   -0.0132
 4     -0.0169   -0.0132        0.0000    0.0000        0.0090    0.0035
 5      0.0025    0.0030       -0.0090   -0.0035        0.0174    0.0127
 6      0.0182    0.0132       -0.0174   -0.0127        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0382   -0.0382       -0.0105   -0.0105
 2     -0.0395   -0.0395        0.0000    0.0000       -0.0105   -0.0105
 3     -0.0395   -0.0395       -0.0382   -0.0382        0.0000    0.0000
 4     -0.0382   -0.0382        0.0395    0.0395        0.0068    0.0068
 5      0.0105    0.0105       -0.0157   -0.0157       -0.0395   -0.0395
 6      0.0090    0.0090       -0.0105   -0.0105        0.0382    0.0382
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0327    0.0000        0.2038   -0.0510        0.0547    0.0140
 2     -0.0358    0.0510        0.2257   -0.0526       -0.1470   -0.0090
 3      0.0865   -0.0140       -0.0372    0.0210       -0.0572    0.0526
 4     -0.0710    0.0526       -0.0239    0.0000        0.1630   -0.0140
 5     -0.1402   -0.0119       -0.3120    0.0140        0.0076   -0.0510
 6     -0.0408   -0.0526        0.3043    0.0510        0.1187    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2293    0.0000        0.2100   -0.0024        0.1131    0.0310
 2     -0.1464    0.0024       -0.2112   -0.0760        0.3945    0.0648
 3     -0.4517   -0.0310        0.3605    0.0127       -0.2098    0.0760
 4      0.1542    0.0760       -0.0839    0.0000        0.0832   -0.0310
 5     -0.3274   -0.0775       -0.4346    0.0310       -0.4661   -0.0024
 6      0.0466   -0.0760       -0.1387    0.0024       -0.2309    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.7629    5.2278        2.0415    1.7676        3.0572    3.2327
 2      4.6870    5.2623        2.2338    1.7755        3.1623    3.2327
 3      4.9605    5.2623        1.9441    1.7676        3.0336    3.1974
 4      0.0501   -0.0078       -0.3418   -0.0345        0.3064    0.0812
 5     -0.6207   -0.0353        0.2013   -0.0438       -0.1726    0.0345
 6     -0.3743   -0.0373       -0.3270    0.0353       -0.2643    0.0078
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0331   -4.9812   -2.2783   -0.0007    0.0006    0.0007
 Low frequencies ---  161.4148  205.6835  232.7491
 Diagonal vibrational polarizability:
        0.7232490       0.7231525       0.7231564
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.4137               205.6834               232.7490
 Red. masses --      1.6948                 1.8335                 1.4638
 Frc consts  --      0.0260                 0.0457                 0.0467
 IR Inten    --      0.0000                 0.0001                 0.0003
 RamAct Fr= 1--      0.0009                 0.0050                 0.0175
  Dep-P Fr= 1--      0.6998                 0.7150                 0.7487
  Dep-U Fr= 1--      0.8234                 0.8338                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0007                 0.0025
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0000                -0.0025                -0.0002
 Delta2 Fr= 1--      0.0001                 0.0011                -0.0008
 Raman1 Fr= 1--       0.004                  0.020                  0.070
 ROA1   Fr= 1--       0.004                 -0.206                 -0.046
 CID1   Fr= 1--       0.998                -10.391                 -0.652
 Raman2 Fr= 1--       0.001                  0.008                  0.030
 ROA2   Fr= 1--      -0.001                 -0.069                  0.002
 CID2   Fr= 1--      -0.440                 -8.359                  0.058
 Raman3 Fr= 1--       0.003                  0.017                  0.060
 ROA3   Fr= 1--       0.004                 -0.206                 -0.046
 CID3   Fr= 1--       1.212                -12.463                 -0.762
 RC180  Fr= 1--       0.647                  0.668                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.00  -0.01  -0.01
     2   6    -0.01   0.01  -0.01    -0.01   0.05   0.00    -0.01  -0.01  -0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.04   0.02   0.00
     4   6     0.00  -0.01   0.02    -0.03  -0.01   0.02     0.02  -0.00   0.02
     5   6     0.01  -0.01  -0.01     0.02  -0.01  -0.02     0.02  -0.02  -0.03
     6   1     0.01   0.23   0.11    -0.05  -0.07  -0.05    -0.05  -0.45  -0.23
     7   1    -0.16  -0.02  -0.21     0.10   0.08   0.10     0.31   0.04   0.39
     8   1     0.12  -0.19   0.07    -0.10   0.17  -0.04    -0.26   0.38  -0.18
     9   1     0.29  -0.14  -0.20     0.27  -0.16  -0.19     0.02   0.01  -0.03
    10   1    -0.20   0.30  -0.14    -0.16   0.25  -0.12    -0.08   0.12  -0.01
    11   1    -0.10  -0.15   0.33    -0.05  -0.14   0.32    -0.11  -0.03   0.06
    12   1    -0.17  -0.10   0.05     0.01   0.02   0.02     0.08   0.06   0.02
    13   1     0.05   0.06  -0.15    -0.06  -0.03   0.08     0.01  -0.06   0.10
    14   1     0.13   0.00   0.18    -0.06  -0.05  -0.03    -0.03  -0.01  -0.05
    15   1     0.26   0.14  -0.05    -0.35  -0.21  -0.01     0.22   0.10  -0.09
    16   1    -0.01  -0.28  -0.13     0.08   0.35   0.18     0.02  -0.25  -0.11
    17   1    -0.21   0.10   0.15     0.35  -0.18  -0.24    -0.14   0.06   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6576               299.0248               307.3252
 Red. masses --      1.0630                 2.6053                 2.3470
 Frc consts  --      0.0435                 0.1373                 0.1306
 IR Inten    --      0.0001                 0.0008                 0.0003
 RamAct Fr= 1--      0.0054                 0.9056                 1.0164
  Dep-P Fr= 1--      0.5184                 0.7500                 0.7500
  Dep-U Fr= 1--      0.6828                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0006                 0.1294                 0.1452
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0071                -0.0032                 0.0085
 Delta2 Fr= 1--     -0.0048                -0.0048                 0.0082
 Raman1 Fr= 1--       0.022                  3.622                  4.065
 ROA1   Fr= 1--       0.522                 -0.461                  1.077
 CID1   Fr= 1--      23.963                 -0.127                  0.265
 Raman2 Fr= 1--       0.007                  1.552                  1.742
 ROA2   Fr= 1--       0.208                 -0.038                  0.139
 CID2   Fr= 1--      27.962                 -0.024                  0.080
 Raman3 Fr= 1--       0.015                  3.105                  3.485
 ROA3   Fr= 1--       0.522                 -0.461                  1.077
 CID3   Fr= 1--      35.093                 -0.149                  0.309
 RC180  Fr= 1--       0.366                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.01  -0.00  -0.02     0.01   0.15   0.01     0.12   0.00   0.13
     3   6     0.00  -0.01   0.01     0.01  -0.08   0.13    -0.10   0.06   0.05
     4   6     0.00  -0.00   0.00     0.08   0.09  -0.11    -0.12  -0.05  -0.12
     5   6     0.01   0.01   0.00    -0.09  -0.13  -0.06     0.11  -0.02  -0.06
     6   1    -0.02   0.09   0.04    -0.02   0.21   0.06     0.31   0.18   0.15
     7   1    -0.09  -0.02  -0.12     0.12   0.24  -0.07     0.06  -0.02   0.08
     8   1     0.05  -0.09  -0.00    -0.07   0.17   0.10     0.13  -0.16   0.34
     9   1     0.02  -0.04  -0.01    -0.15  -0.27   0.11    -0.16   0.12   0.11
    10   1    -0.02   0.03   0.01     0.12  -0.05   0.28    -0.06   0.18   0.15
    11   1    -0.01  -0.03   0.06     0.05  -0.09   0.24    -0.27  -0.01  -0.00
    12   1     0.48   0.29  -0.05     0.16   0.05  -0.17    -0.10  -0.17  -0.20
    13   1    -0.13  -0.23   0.50     0.13   0.07  -0.15    -0.26   0.08  -0.10
    14   1    -0.34  -0.06  -0.43     0.03   0.23  -0.12    -0.18  -0.10  -0.20
    15   1     0.07   0.04   0.00    -0.11  -0.11  -0.19     0.13   0.02  -0.18
    16   1     0.02  -0.04  -0.01    -0.18  -0.24  -0.20     0.22  -0.09   0.03
    17   1    -0.03   0.05   0.02    -0.12  -0.27   0.15     0.16  -0.02  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    364.9352               387.7294               392.1374
 Red. masses --      2.6323                 2.3104                 2.3140
 Frc consts  --      0.2065                 0.2046                 0.2096
 IR Inten    --      0.0408                 0.0599                 0.0373
 RamAct Fr= 1--      0.1645                 0.2228                 0.2808
  Dep-P Fr= 1--      0.6729                 0.7463                 0.7274
  Dep-U Fr= 1--      0.8045                 0.8547                 0.8422
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0221                 0.0317                 0.0394
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0054                -0.0058                -0.0058
 Delta2 Fr= 1--     -0.0019                 0.0014                -0.0023
 Raman1 Fr= 1--       0.658                  0.891                  1.123
 ROA1   Fr= 1--       0.454                 -0.509                 -0.635
 CID1   Fr= 1--       0.689                 -0.571                 -0.565
 Raman2 Fr= 1--       0.265                  0.381                  0.473
 ROA2   Fr= 1--       0.144                 -0.150                 -0.121
 CID2   Fr= 1--       0.543                 -0.392                 -0.257
 Raman3 Fr= 1--       0.529                  0.762                  0.946
 ROA3   Fr= 1--       0.454                 -0.509                 -0.635
 CID3   Fr= 1--       0.857                 -0.668                 -0.671
 RC180  Fr= 1--       0.609                  0.709                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12  -0.04     0.09   0.04   0.10     0.07   0.09  -0.10
     2   6     0.03   0.11  -0.07    -0.05  -0.03  -0.10     0.14  -0.04  -0.09
     3   6    -0.07   0.02  -0.01     0.09   0.12   0.05     0.03   0.03   0.06
     4   6     0.07  -0.15  -0.04    -0.10  -0.01  -0.09    -0.09  -0.06   0.11
     5   6    -0.03   0.03   0.10     0.02  -0.10   0.08    -0.10   0.05  -0.07
     6   1    -0.13   0.18   0.03    -0.28  -0.18  -0.09     0.24  -0.07  -0.16
     7   1     0.22   0.29  -0.25    -0.11  -0.06  -0.10     0.04  -0.14   0.01
     8   1    -0.09   0.21  -0.02     0.04   0.07  -0.37     0.21  -0.10  -0.12
     9   1    -0.09   0.16   0.08     0.17   0.24   0.08    -0.13  -0.12   0.06
    10   1    -0.06   0.20   0.08     0.05   0.13  -0.00     0.15   0.13   0.24
    11   1    -0.34  -0.09  -0.11     0.05   0.11  -0.02    -0.00  -0.02   0.15
    12   1     0.05  -0.16  -0.03    -0.07  -0.22  -0.22    -0.27   0.05   0.26
    13   1     0.05  -0.13  -0.03    -0.31   0.19  -0.09    -0.21  -0.03   0.24
    14   1     0.08  -0.19  -0.04    -0.17  -0.07  -0.19     0.01  -0.40   0.12
    15   1    -0.04  -0.06   0.43    -0.04  -0.10  -0.03    -0.16  -0.01  -0.01
    16   1    -0.15   0.23   0.04    -0.06  -0.17  -0.03    -0.23   0.11  -0.21
    17   1    -0.10   0.12   0.08     0.02  -0.25   0.27    -0.13  -0.03   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    686.9048               750.3383               762.8615
 Red. masses --      3.3631                 2.5284                 2.4648
 Frc consts  --      0.9349                 0.8387                 0.8451
 IR Inten    --      0.0200                 0.2201                 0.2419
 RamAct Fr= 1--     17.9487                 1.4154                 1.4653
  Dep-P Fr= 1--      0.0027                 0.6572                 0.7379
  Dep-U Fr= 1--      0.0054                 0.7932                 0.8492
 Alpha2 Fr= 1--      0.3963                 0.0023                 0.0003
 Beta2  Fr= 1--      0.0161                 0.1871                 0.2074
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0024                -0.0634                 0.2769
 Delta2 Fr= 1--     -0.0027                -0.0831                 0.2981
 Raman1 Fr= 1--      71.795                  5.662                  5.861
 ROA1   Fr= 1--      -0.314                 -8.741                 36.120
 CID1   Fr= 1--      -0.004                 -1.544                  6.163
 Raman2 Fr= 1--       0.194                  2.245                  2.489
 ROA2   Fr= 1--      -0.035                 -0.856                  4.260
 CID2   Fr= 1--      -0.181                 -0.381                  1.712
 Raman3 Fr= 1--       0.387                  4.491                  4.977
 ROA3   Fr= 1--      -0.314                 -8.741                 36.120
 CID3   Fr= 1--      -0.811                 -1.946                  7.257
 RC180  Fr= 1--      -0.989                  0.586                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.00     0.01   0.01  -0.04    -0.04  -0.03   0.02
     2   6     0.15   0.02  -0.12    -0.06   0.05   0.03     0.07  -0.07  -0.05
     3   6    -0.14  -0.11  -0.08     0.02   0.09  -0.12    -0.08   0.12   0.09
     4   6    -0.10   0.19   0.06    -0.01   0.02   0.00    -0.01   0.00   0.01
     5   6     0.11  -0.05   0.15     0.05  -0.14   0.02    -0.04  -0.08  -0.02
     6   1     0.19   0.03  -0.13    -0.02  -0.05  -0.03     0.02   0.05   0.03
     7   1     0.19   0.04  -0.14    -0.25  -0.11   0.19     0.37   0.16  -0.28
     8   1     0.16   0.01  -0.12     0.04  -0.00  -0.05    -0.08   0.01   0.05
     9   1    -0.18  -0.22  -0.13    -0.32  -0.31  -0.18     0.05  -0.04  -0.05
    10   1    -0.20  -0.22  -0.19     0.27   0.20   0.23    -0.13  -0.22  -0.11
    11   1    -0.16  -0.12  -0.11     0.08   0.05   0.15     0.43   0.34   0.26
    12   1    -0.13   0.20   0.07     0.02  -0.06  -0.06    -0.03  -0.11  -0.05
    13   1    -0.15   0.22   0.08    -0.04   0.09  -0.05    -0.13   0.12   0.01
    14   1    -0.10   0.14   0.05    -0.05   0.08  -0.03    -0.04  -0.06  -0.05
    15   1     0.07  -0.08   0.17     0.20  -0.19   0.49     0.11  -0.04   0.14
    16   1     0.08  -0.09   0.11     0.05   0.05   0.09     0.06  -0.02   0.12
    17   1     0.14  -0.21   0.32    -0.06   0.11  -0.15    -0.09   0.18  -0.30
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.2512               826.6650               879.2248
 Red. masses --      2.7432                 2.1916                 2.1257
 Frc consts  --      1.0376                 0.8824                 0.9682
 IR Inten    --      0.3331                 0.0759                 0.3468
 RamAct Fr= 1--      3.9429                 0.8785                 3.7896
  Dep-P Fr= 1--      0.5780                 0.7431                 0.6435
  Dep-U Fr= 1--      0.7326                 0.8526                 0.7831
 Alpha2 Fr= 1--      0.0127                 0.0001                 0.0073
 Beta2  Fr= 1--      0.4814                 0.1248                 0.4946
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0000
 Gamma2 Fr= 1--     -0.4049                 0.1404                -0.0173
 Delta2 Fr= 1--     -0.5040                 0.3018                -0.0004
 Raman1 Fr= 1--      15.771                  3.514                 15.158
 ROA1   Fr= 1--     -54.996                 23.137                 -1.671
 CID1   Fr= 1--      -3.487                  6.584                 -0.110
 Raman2 Fr= 1--       5.777                  1.498                  5.935
 ROA2   Fr= 1--      -5.686                  0.955                 -0.411
 CID2   Fr= 1--      -0.984                  0.637                 -0.069
 Raman3 Fr= 1--      11.554                  2.996                 11.870
 ROA3   Fr= 1--     -54.996                 23.137                 -1.671
 CID3   Fr= 1--      -4.760                  7.722                 -0.141
 RC180  Fr= 1--       0.465                  0.705                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.02     0.00  -0.01  -0.04     0.04   0.03   0.11
     2   6     0.04  -0.06   0.00    -0.02   0.07  -0.05     0.13   0.14  -0.03
     3   6     0.14  -0.08   0.00    -0.01  -0.05   0.12    -0.04  -0.04   0.02
     4   6    -0.11   0.17   0.06    -0.03   0.04   0.01     0.04  -0.06   0.04
     5   6    -0.07  -0.08  -0.04     0.07  -0.05  -0.13    -0.09  -0.04   0.00
     6   1    -0.15  -0.06   0.07     0.31   0.11  -0.15    -0.07  -0.14  -0.10
     7   1     0.18   0.08  -0.22    -0.15  -0.10   0.26    -0.28  -0.14   0.11
     8   1    -0.00   0.04  -0.09    -0.00  -0.11   0.17     0.39   0.13  -0.42
     9   1     0.15   0.22   0.16     0.28   0.25   0.16    -0.03  -0.05   0.01
    10   1     0.18   0.23   0.16    -0.19  -0.14  -0.14    -0.13  -0.15  -0.13
    11   1    -0.26  -0.24  -0.16     0.01   0.01  -0.05    -0.10  -0.06  -0.03
    12   1    -0.06   0.20   0.05     0.04   0.00  -0.03     0.16  -0.30  -0.16
    13   1    -0.02   0.11   0.02     0.00   0.04  -0.03    -0.04   0.11  -0.08
    14   1    -0.12   0.31   0.10    -0.06   0.13  -0.00    -0.08   0.11  -0.06
    15   1     0.08  -0.02   0.05     0.03  -0.23   0.42     0.01   0.06  -0.13
    16   1     0.05  -0.03   0.12    -0.16   0.19  -0.30     0.04  -0.04   0.14
    17   1    -0.10   0.21  -0.39    -0.14   0.04   0.04    -0.07   0.19  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    910.1027               988.9378              1030.0289
 Red. masses --      1.9994                 1.6192                 1.5418
 Frc consts  --      0.9757                 0.9330                 0.9638
 IR Inten    --      0.5056                 0.0319                 0.0500
 RamAct Fr= 1--      5.5592                 2.3757                 0.5536
  Dep-P Fr= 1--      0.6266                 0.7490                 0.7214
  Dep-U Fr= 1--      0.7704                 0.8565                 0.8382
 Alpha2 Fr= 1--      0.0125                 0.0000                 0.0003
 Beta2  Fr= 1--      0.7138                 0.3391                 0.0773
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1285                 0.0158                -0.0365
 Delta2 Fr= 1--      0.0849                -0.1462                -0.0449
 Raman1 Fr= 1--      22.237                  9.503                  2.215
 ROA1   Fr= 1--      15.047                 -3.159                 -4.946
 CID1   Fr= 1--       0.677                 -0.332                 -2.234
 Raman2 Fr= 1--       8.566                  4.070                  0.928
 ROA2   Fr= 1--       2.404                  1.549                 -0.517
 CID2   Fr= 1--       0.281                  0.381                 -0.558
 Raman3 Fr= 1--      17.132                  8.139                  1.856
 ROA3   Fr= 1--      15.047                 -3.159                 -4.946
 CID3   Fr= 1--       0.878                 -0.388                 -2.665
 RC180  Fr= 1--       0.541                  0.713                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14  -0.02  -0.06    -0.05  -0.05   0.07    -0.01  -0.00  -0.01
     2   6     0.04   0.07  -0.12     0.03  -0.02  -0.03     0.09   0.01   0.12
     3   6     0.03   0.02   0.03     0.00   0.03  -0.05    -0.03   0.01   0.01
     4   6    -0.05  -0.07  -0.05    -0.07  -0.06   0.10    -0.08  -0.02  -0.07
     5   6    -0.04  -0.05   0.14     0.05   0.07  -0.06     0.04   0.01  -0.06
     6   1     0.36   0.10  -0.23     0.08   0.00  -0.04    -0.36  -0.26   0.14
     7   1    -0.04  -0.06   0.12     0.11   0.03  -0.07    -0.11  -0.02  -0.17
     8   1     0.07  -0.08   0.06     0.04  -0.04  -0.02     0.18   0.22  -0.35
     9   1     0.09   0.15   0.07    -0.08  -0.04  -0.05    -0.02   0.05   0.03
    10   1     0.06   0.11   0.09     0.08   0.08   0.07    -0.06  -0.03  -0.04
    11   1     0.11   0.06   0.05     0.05   0.03   0.05     0.09   0.05   0.08
    12   1     0.03   0.25   0.09     0.35  -0.29  -0.22    -0.06   0.37   0.15
    13   1     0.33  -0.41  -0.09     0.17  -0.05  -0.24     0.27  -0.38  -0.03
    14   1     0.03   0.20   0.14    -0.27   0.61   0.05     0.09   0.09   0.16
    15   1     0.08   0.07  -0.07    -0.14  -0.04  -0.03     0.02  -0.06   0.14
    16   1     0.16  -0.19   0.31    -0.06   0.10  -0.18    -0.01   0.04  -0.10
    17   1     0.10  -0.05  -0.04    -0.05  -0.00   0.18    -0.00  -0.06   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.4670              1078.0087              1084.8245
 Red. masses --      2.1954                 2.2006                 2.3010
 Frc consts  --      1.4989                 1.5067                 1.5955
 IR Inten    --      2.8219                 3.5518                 4.6338
 RamAct Fr= 1--      1.6885                 2.1463                 1.3092
  Dep-P Fr= 1--      0.7361                 0.7401                 0.7398
  Dep-U Fr= 1--      0.8480                 0.8506                 0.8505
 Alpha2 Fr= 1--      0.0004                 0.0004                 0.0002
 Beta2  Fr= 1--      0.2386                 0.3043                 0.1856
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0785                -0.0461                -0.1962
 Delta2 Fr= 1--     -0.0006                 0.0242                -0.0361
 Raman1 Fr= 1--       6.754                  8.585                  5.237
 ROA1   Fr= 1--       7.515                 -3.654                -19.988
 CID1   Fr= 1--       1.113                 -0.426                 -3.817
 Raman2 Fr= 1--       2.864                  3.651                  2.227
 ROA2   Fr= 1--       1.889                 -1.301                 -4.420
 CID2   Fr= 1--       0.660                 -0.356                 -1.985
 Raman3 Fr= 1--       5.727                  7.303                  4.454
 ROA3   Fr= 1--       7.515                 -3.654                -19.988
 CID3   Fr= 1--       1.312                 -0.500                 -4.488
 RC180  Fr= 1--       0.696                  0.701                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.01  -0.02  -0.01     0.00   0.00   0.02
     2   6    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.02  -0.00  -0.02
     3   6     0.02   0.01  -0.11    -0.10   0.09  -0.01     0.08   0.08  -0.02
     4   6     0.02   0.00   0.02    -0.01   0.00  -0.01    -0.02   0.00  -0.05
     5   6    -0.07   0.03  -0.03     0.01   0.00   0.00     0.12  -0.05   0.06
     6   1     0.01  -0.00  -0.01    -0.01  -0.01   0.00     0.06   0.05  -0.02
     7   1     0.00   0.00  -0.01    -0.03  -0.01   0.00     0.02   0.00   0.03
     8   1    -0.03   0.00   0.02     0.01   0.03  -0.03    -0.03  -0.05   0.06
     9   1    -0.17   0.43   0.19     0.53  -0.00  -0.33    -0.22   0.05   0.10
    10   1     0.11  -0.28  -0.10     0.37  -0.47   0.37     0.02  -0.25  -0.22
    11   1    -0.07  -0.25   0.59    -0.30  -0.03   0.03    -0.20  -0.16   0.28
    12   1     0.03  -0.10  -0.04    -0.02   0.04   0.02    -0.07   0.19   0.09
    13   1    -0.05   0.09  -0.01     0.02  -0.03  -0.00     0.07  -0.12   0.02
    14   1    -0.03  -0.01  -0.04    -0.00   0.01   0.01     0.07  -0.07   0.05
    15   1     0.22   0.14   0.14    -0.03  -0.01  -0.03    -0.38  -0.25  -0.25
    16   1    -0.03   0.01   0.00     0.01   0.01   0.02     0.04  -0.00  -0.01
    17   1     0.18  -0.25  -0.01    -0.02   0.01   0.03    -0.31   0.43   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1098.2764              1188.9127              1231.9363
 Red. masses --      2.5942                 3.4875                 2.6315
 Frc consts  --      1.8436                 2.9045                 2.3531
 IR Inten    --      1.1878                 0.6718                 7.9139
 RamAct Fr= 1--      1.5916                 9.9846                 9.4409
  Dep-P Fr= 1--      0.0807                 0.7413                 0.7456
  Dep-U Fr= 1--      0.1494                 0.8514                 0.8543
 Alpha2 Fr= 1--      0.0292                 0.0015                 0.0007
 Beta2  Fr= 1--      0.0396                 1.4168                 1.3442
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0019                 0.3057                 0.1988
 Delta2 Fr= 1--      0.0481                 0.3209                 0.0154
 Raman1 Fr= 1--       6.366                 39.939                 37.764
 ROA1   Fr= 1--       1.716                 39.611                 19.579
 CID1   Fr= 1--       0.269                  0.992                  0.518
 Raman2 Fr= 1--       0.476                 17.002                 16.130
 ROA2   Fr= 1--      -0.340                  4.769                  4.649
 CID2   Fr= 1--      -0.715                  0.280                  0.288
 Raman3 Fr= 1--       0.951                 34.004                 32.260
 ROA3   Fr= 1--       1.716                 39.611                 19.579
 CID3   Fr= 1--       1.804                  1.165                  0.607
 RC180  Fr= 1--      -0.701                  0.703                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01     0.28  -0.28  -0.09     0.14   0.15   0.19
     2   6     0.03   0.04   0.01    -0.02   0.04  -0.03    -0.10  -0.04  -0.06
     3   6    -0.15  -0.16  -0.12    -0.05   0.05   0.01    -0.09  -0.07  -0.07
     4   6     0.05   0.04   0.01    -0.11   0.08   0.03    -0.06  -0.05  -0.08
     5   6     0.07  -0.00   0.03    -0.04   0.02   0.09    -0.02  -0.04  -0.02
     6   1    -0.02  -0.05  -0.02    -0.18   0.10   0.09     0.01   0.32   0.11
     7   1    -0.08  -0.03   0.01    -0.16  -0.12   0.23     0.29   0.10   0.21
     8   1     0.08   0.05  -0.10    -0.12  -0.02   0.20     0.25  -0.36  -0.07
     9   1     0.13   0.41   0.05    -0.09  -0.05  -0.02     0.00   0.06  -0.05
    10   1     0.07   0.26   0.31    -0.09  -0.05  -0.07     0.01   0.04   0.11
    11   1     0.44   0.06   0.18     0.17   0.14   0.11     0.08  -0.02   0.02
    12   1    -0.09  -0.05   0.01    -0.01   0.26   0.08     0.03   0.26   0.07
    13   1    -0.20   0.23   0.09     0.01   0.01  -0.03     0.20  -0.33  -0.02
    14   1     0.02  -0.16  -0.08    -0.09   0.34   0.12     0.12   0.05   0.17
    15   1    -0.23  -0.12  -0.16     0.03   0.16  -0.27     0.10   0.02   0.02
    16   1     0.06  -0.02   0.03    -0.32   0.10  -0.25    -0.19   0.14  -0.17
    17   1    -0.15   0.20   0.08     0.13   0.01  -0.13     0.01   0.04  -0.16
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1249.7542              1302.2485              1324.0443
 Red. masses --      3.6191                 1.3138                 1.2855
 Frc consts  --      3.3305                 1.3127                 1.3278
 IR Inten    --      6.6211                 3.4013                 6.9946
 RamAct Fr= 1--      9.9508                 1.8275                 3.8589
  Dep-P Fr= 1--      0.7457                 0.7452                 0.7463
  Dep-U Fr= 1--      0.8543                 0.8540                 0.8547
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0002
 Beta2  Fr= 1--      1.4169                 0.2601                 0.5497
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0001
 Gamma2 Fr= 1--     -0.5336                 0.5709                -0.5076
 Delta2 Fr= 1--     -0.2889                 0.2847                -0.2596
 Raman1 Fr= 1--      39.803                  7.310                 15.435
 ROA1   Fr= 1--     -60.471                 63.915                -57.039
 CID1   Fr= 1--      -1.519                  8.744                 -3.695
 Raman2 Fr= 1--      17.002                  3.121                  6.596
 ROA2   Fr= 1--     -10.496                 11.423                -10.105
 CID2   Fr= 1--      -0.617                  3.660                 -1.532
 Raman3 Fr= 1--      34.005                  6.243                 13.193
 ROA3   Fr= 1--     -60.471                 63.915                -57.039
 CID3   Fr= 1--      -1.778                 10.239                 -4.323
 RC180  Fr= 1--       0.709                  0.708                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.26  -0.25    -0.05  -0.06   0.06     0.01   0.02   0.05
     2   6    -0.05  -0.07   0.12    -0.04   0.03   0.06     0.05  -0.01  -0.03
     3   6    -0.04  -0.06   0.02     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     4   6    -0.04  -0.09   0.09     0.02   0.02  -0.03    -0.00  -0.01  -0.02
     5   6     0.02  -0.10   0.15     0.02  -0.02   0.04    -0.01  -0.07  -0.04
     6   1     0.10  -0.21  -0.04     0.50  -0.31  -0.36    -0.02  -0.00  -0.00
     7   1    -0.03   0.06  -0.24    -0.03   0.11  -0.20    -0.10  -0.09  -0.05
     8   1    -0.20   0.15   0.01     0.12  -0.02  -0.12    -0.31   0.17   0.23
     9   1     0.10   0.14   0.05    -0.02  -0.03  -0.01    -0.01  -0.00  -0.01
    10   1    -0.07  -0.07  -0.02     0.02   0.02   0.01     0.00   0.02   0.01
    11   1     0.01  -0.03   0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.01
    12   1     0.33  -0.16  -0.14    -0.08   0.02   0.02    -0.02   0.05   0.03
    13   1     0.14   0.02  -0.29    -0.03  -0.01   0.09    -0.01  -0.03   0.02
    14   1    -0.19   0.32  -0.00     0.05  -0.09  -0.00     0.02   0.02   0.02
    15   1     0.07   0.00  -0.16     0.10   0.06  -0.09     0.18   0.08  -0.16
    16   1    -0.23   0.14  -0.07    -0.39   0.28  -0.36     0.06   0.74   0.33
    17   1     0.02   0.14  -0.14     0.08   0.00  -0.08    -0.17  -0.05   0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1329.0991              1349.2344              1412.0946
 Red. masses --      1.3986                 1.4883                 1.2310
 Frc consts  --      1.4557                 1.5963                 1.4462
 IR Inten    --      2.4074                 1.9205                 3.9660
 RamAct Fr= 1--      2.2027                 5.1611                 0.0131
  Dep-P Fr= 1--      0.7196                 0.7413                 0.6877
  Dep-U Fr= 1--      0.8369                 0.8515                 0.8149
 Alpha2 Fr= 1--      0.0012                 0.0008                 0.0000
 Beta2  Fr= 1--      0.3072                 0.7324                 0.0018
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0000
 Gamma2 Fr= 1--     -0.4208                 0.5216                 0.0053
 Delta2 Fr= 1--     -0.4355                 0.4506                 0.0040
 Raman1 Fr= 1--       8.811                 20.645                  0.052
 ROA1   Fr= 1--     -54.335                 64.491                  0.634
 CID1   Fr= 1--      -6.167                  3.124                 12.126
 Raman2 Fr= 1--       3.687                  8.789                  0.021
 ROA2   Fr= 1--      -6.616                  8.913                  0.094
 CID2   Fr= 1--      -1.795                  1.014                  4.421
 Raman3 Fr= 1--       7.374                 17.578                  0.043
 ROA3   Fr= 1--     -54.335                 64.491                  0.634
 CID3   Fr= 1--      -7.369                  3.669                 14.879
 RC180  Fr= 1--       0.674                  0.703                  0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.09     0.14  -0.00   0.05    -0.00   0.01   0.00
     2   6    -0.09   0.02   0.05    -0.05   0.01   0.03    -0.01   0.00   0.01
     3   6     0.01   0.02   0.02    -0.03  -0.01  -0.01     0.00   0.00   0.00
     4   6    -0.00   0.02   0.03    -0.04   0.00  -0.01     0.07  -0.12  -0.04
     5   6    -0.02  -0.02  -0.03    -0.05   0.04  -0.06    -0.00   0.00  -0.01
     6   1     0.03  -0.06  -0.04     0.45  -0.29  -0.33     0.03  -0.04  -0.03
     7   1     0.17   0.16   0.09    -0.11   0.05  -0.20     0.01   0.02  -0.02
     8   1     0.55  -0.37  -0.34    -0.18   0.06   0.16     0.03  -0.04  -0.01
     9   1     0.00  -0.00   0.02    -0.02  -0.01  -0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.03  -0.04    -0.02  -0.00  -0.00     0.00  -0.01  -0.01
    11   1    -0.00   0.02   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    12   1     0.01  -0.04  -0.02     0.10   0.07  -0.03    -0.19   0.40   0.36
    13   1     0.02   0.05  -0.06     0.05  -0.07  -0.01    -0.44   0.36   0.04
    14   1    -0.06  -0.02  -0.05     0.07   0.00   0.12    -0.09   0.56   0.00
    15   1     0.05   0.03  -0.08    -0.11  -0.03   0.10    -0.01  -0.00   0.02
    16   1     0.24   0.30   0.38     0.40  -0.33   0.33     0.04  -0.03   0.02
    17   1    -0.12  -0.05   0.16    -0.08  -0.01   0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.9110              1498.6958              1498.9268
 Red. masses --      1.0825                 1.0532                 1.0541
 Frc consts  --      1.3894                 1.3938                 1.3954
 IR Inten    --      4.4440                 5.6099                 5.7306
 RamAct Fr= 1--      2.2428                 5.0246                 4.9038
  Dep-P Fr= 1--      0.7423                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8521                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3185                 0.7178                 0.7005
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0441                -0.0130                -0.0688
 Delta2 Fr= 1--      0.0107                -0.0001                 0.0065
 Raman1 Fr= 1--       8.971                 20.098                 19.615
 ROA1   Fr= 1--       4.572                 -1.250                 -6.393
 CID1   Fr= 1--       0.510                 -0.062                 -0.326
 Raman2 Fr= 1--       3.822                  8.614                  8.406
 ROA2   Fr= 1--       0.972                 -0.311                 -1.703
 CID2   Fr= 1--       0.254                 -0.036                 -0.203
 Raman3 Fr= 1--       7.644                 17.227                 16.811
 ROA3   Fr= 1--       4.572                 -1.250                 -6.393
 CID3   Fr= 1--       0.598                 -0.073                 -0.380
 RC180  Fr= 1--       0.704                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.00   0.01  -0.03    -0.03  -0.02  -0.00
     2   6    -0.03  -0.06   0.03     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.01  -0.01    -0.00   0.01  -0.05    -0.04  -0.02  -0.00
     5   6    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.00
     6   1     0.42   0.53   0.14    -0.08  -0.05   0.00     0.03   0.08   0.03
     7   1    -0.03  -0.06   0.03     0.02   0.01   0.01     0.00  -0.01   0.02
     8   1    -0.10   0.44  -0.52     0.04  -0.07   0.04     0.01   0.05  -0.09
     9   1    -0.01  -0.01   0.01     0.01   0.01   0.00     0.00  -0.01   0.00
    10   1    -0.01  -0.00  -0.01     0.00  -0.01  -0.01     0.01   0.00   0.00
    11   1     0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01   0.00  -0.00
    12   1    -0.09  -0.06  -0.00     0.02  -0.34  -0.23     0.62   0.29  -0.12
    13   1    -0.01  -0.05   0.10    -0.26  -0.19   0.60    -0.24   0.32  -0.17
    14   1    -0.01   0.08   0.00     0.29   0.31   0.41     0.33  -0.24   0.37
    15   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.01   0.01  -0.01
    16   1     0.04   0.01   0.04     0.01   0.00   0.02    -0.03   0.03  -0.02
    17   1    -0.01  -0.01   0.01    -0.00   0.00   0.01     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9765              2206.9087              2244.6789
 Red. masses --      2.1312                 2.1898                 2.2676
 Frc consts  --      5.9128                 6.2839                 6.7317
 IR Inten    --     15.1615                13.2062                15.0154
 RamAct Fr= 1--     70.9422                74.0788                61.0067
  Dep-P Fr= 1--      0.0021                 0.0584                 0.1726
  Dep-U Fr= 1--      0.0041                 0.1104                 0.2944
 Alpha2 Fr= 1--      1.5689                 1.4342                 0.8901
 Beta2  Fr= 1--      0.0487                 1.3627                 2.9933
 AlphaG Fr= 1--      0.0028                 0.0007                -0.0025
 Gamma2 Fr= 1--      0.0041                 0.3197                -0.5598
 Delta2 Fr= 1--      0.0083                 0.3066                -0.5374
 Raman1 Fr= 1--     283.769                296.315                244.027
 ROA1   Fr= 1--       0.662                 40.502                -70.939
 CID1   Fr= 1--       0.002                  0.137                 -0.291
 Raman2 Fr= 1--       0.584                 16.353                 35.920
 ROA2   Fr= 1--       0.033                  5.220                 -9.136
 CID2   Fr= 1--       0.057                  0.319                 -0.254
 Raman3 Fr= 1--       1.169                 32.705                 71.839
 ROA3   Fr= 1--       0.662                 40.502                -70.939
 CID3   Fr= 1--       0.566                  1.238                 -0.987
 RC180  Fr= 1--      -0.992                 -0.779                 -0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04     0.01   0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.02  -0.04  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17    -0.01   0.01   0.00
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07    -0.00   0.01  -0.00
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.03  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1858              2284.5308              2285.9105
 Red. masses --      2.3739                 2.3767                 2.3786
 Frc consts  --      7.2912                 7.3085                 7.3229
 IR Inten    --      7.5560                16.2135                25.9117
 RamAct Fr= 1--     17.7351                37.5906                59.0950
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7487
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8563
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0013
 Beta2  Fr= 1--      2.5335                 5.3672                 8.4336
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -1.4533                 0.3933                 1.3049
 Delta2 Fr= 1--     -1.3603                 0.3547                 1.2382
 Raman1 Fr= 1--      70.940                150.362                236.380
 ROA1   Fr= 1--    -183.050                 49.104                164.892
 CID1   Fr= 1--      -2.580                  0.327                  0.698
 Raman2 Fr= 1--      30.402                 64.406                101.204
 ROA2   Fr= 1--     -23.998                  6.601                 21.412
 CID2   Fr= 1--      -0.789                  0.102                  0.212
 Raman3 Fr= 1--      60.805                128.812                202.407
 ROA3   Fr= 1--    -183.050                 49.104                164.892
 CID3   Fr= 1--      -3.010                  0.381                  0.815
 RC180  Fr= 1--       0.714                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.08  -0.10   0.04
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.01   0.12   0.06    -0.00   0.00  -0.00    -0.02  -0.12  -0.06
     6   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.01
     8   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   1    -0.17   0.19  -0.38    -0.18   0.20  -0.39    -0.17   0.20  -0.38
    10   1    -0.05  -0.02   0.04     0.61   0.17  -0.48    -0.04  -0.02   0.04
    11   1    -0.24   0.45   0.14     0.15  -0.28  -0.08    -0.23   0.44   0.14
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.01  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23     0.00   0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1605              3044.3833              3064.2556
 Red. masses --      1.0345                 1.0601                 1.0830
 Frc consts  --      5.5635                 5.7891                 5.9913
 IR Inten    --     26.9579                35.2448                23.9575
 RamAct Fr= 1--    137.2474               147.2540               110.8082
  Dep-P Fr= 1--      0.0005                 0.0736                 0.1800
  Dep-U Fr= 1--      0.0010                 0.1371                 0.3051
 Alpha2 Fr= 1--      3.0464                 2.7489                 1.5859
 Beta2  Fr= 1--      0.0227                 3.3646                 5.6346
 AlphaG Fr= 1--     -0.0002                 0.0022                -0.0017
 Gamma2 Fr= 1--     -0.0516                 1.3850                -2.8041
 Delta2 Fr= 1--     -0.0470                 1.3348                -2.6375
 Raman1 Fr= 1--     548.990                589.016                443.233
 ROA1   Fr= 1--      -6.455                175.671               -353.597
 CID1   Fr= 1--      -0.012                  0.298                 -0.798
 Raman2 Fr= 1--       0.272                 40.375                 67.615
 ROA2   Fr= 1--      -0.862                 22.561                -46.200
 CID2   Fr= 1--      -3.165                  0.559                 -0.683
 Raman3 Fr= 1--       0.545                 80.750                135.231
 ROA3   Fr= 1--      -6.455                175.671               -353.597
 CID3   Fr= 1--     -11.847                  2.175                 -2.615
 RC180  Fr= 1--      -0.998                 -0.726                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.01   0.00  -0.00    -0.06  -0.02   0.05
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58     0.01  -0.01   0.02
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
     8   1     0.05   0.04   0.03    -0.46  -0.42  -0.32    -0.05  -0.05  -0.03
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04     0.02  -0.02   0.05
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.35     0.06   0.02  -0.05    -0.04  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.06  -0.02   0.05     0.73   0.21  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7869              3083.9025              3086.2970
 Red. masses --      1.1024                 1.1014                 1.1014
 Frc consts  --      6.1647                 6.1714                 6.1813
 IR Inten    --      0.0101                42.0913                67.0502
 RamAct Fr= 1--     11.7761                77.8869               127.5453
  Dep-P Fr= 1--      0.7486                 0.7450                 0.7492
  Dep-U Fr= 1--      0.8563                 0.8539                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0066                 0.0018
 Beta2  Fr= 1--      1.6806                11.0844                18.2092
 AlphaG Fr= 1--      0.0000                 0.0002                -0.0001
 Gamma2 Fr= 1--      0.2315                 0.6971                 0.4863
 Delta2 Fr= 1--      0.2290                 0.6049                 0.4510
 Raman1 Fr= 1--      47.104                311.547                510.181
 ROA1   Fr= 1--      29.555                 86.275                 61.116
 CID1   Fr= 1--       0.627                  0.277                  0.120
 Raman2 Fr= 1--      20.167                133.012                218.511
 ROA2   Fr= 1--       3.725                 11.890                  8.063
 CID2   Fr= 1--       0.185                  0.089                  0.037
 Raman3 Fr= 1--      40.333                266.025                437.021
 ROA3   Fr= 1--      29.555                 86.275                 61.116
 CID3   Fr= 1--       0.733                  0.324                  0.140
 RC180  Fr= 1--       0.713                  0.708                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05     0.00  -0.00   0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.05    -0.04  -0.01  -0.05
     5   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
     6   1     0.17  -0.23   0.41    -0.01   0.01  -0.02     0.17  -0.23   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21     0.00   0.00   0.00     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1    -0.17   0.23  -0.40    -0.17   0.19  -0.34     0.17  -0.23   0.39
    13   1    -0.32  -0.32  -0.22     0.23   0.23   0.19     0.32   0.32   0.23
    14   1     0.00  -0.00   0.02     0.62   0.15  -0.50     0.01   0.00  -0.03
    15   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    16   1     0.01   0.00  -0.01     0.08   0.02  -0.07     0.03   0.01  -0.02
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   452.88713 479.32318 485.24320
           X            0.74470  -0.43687  -0.50454
           Y            0.25479   0.88483  -0.39008
           Z            0.61685   0.16194   0.77024
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19125     0.18070     0.17850
 Rotational constants (GHZ):           3.98497     3.76519     3.71925
 Zero-point vibrational energy     366687.6 (Joules/Mol)
                                   87.64044 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.24   295.93   334.87   379.34   430.23
          (Kelvin)            442.17   525.06   557.86   564.20   988.30
                             1079.57  1097.59  1152.82  1189.39  1265.01
                             1309.43  1422.86  1481.98  1548.80  1551.01
                             1560.82  1580.17  1710.58  1772.48  1798.12
                             1873.65  1905.00  1912.28  1941.25  2031.69
                             2123.51  2156.29  2156.62  3122.11  3175.25
                             3229.59  3285.00  3286.93  3288.92  4346.78
                             4380.19  4408.78  4432.57  4437.05  4440.49
 
 Zero-point correction=                           0.139664 (Hartree/Particle)
 Thermal correction to Energy=                    0.147316
 Thermal correction to Enthalpy=                  0.148260
 Thermal correction to Gibbs Free Energy=         0.109604
 Sum of electronic and zero-point Energies=           -197.732193
 Sum of electronic and thermal Energies=              -197.724541
 Sum of electronic and thermal Enthalpies=            -197.723597
 Sum of electronic and thermal Free Energies=         -197.762253
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.442             29.040             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.157
 Vibrational             90.664             23.079             16.218
 Vibration     1          0.622              1.890              2.533
 Vibration     2          0.640              1.832              2.082
 Vibration     3          0.653              1.791              1.858
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.692              1.676              1.422
 Vibration     6          0.697              1.660              1.377
 Vibration     7          0.738              1.544              1.101
 Vibration     8          0.756              1.496              1.009
 Vibration     9          0.760              1.487              0.992
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385120D-50        -50.414404       -116.083454
 Total V=0       0.670642D+14         13.826491         31.836671
 Vib (Bot)       0.122115D-62        -62.913232       -144.863070
 Vib (Bot)    1  0.125192D+01          0.097577          0.224679
 Vib (Bot)    2  0.967295D+00         -0.014441         -0.033252
 Vib (Bot)    3  0.845203D+00         -0.073039         -0.168179
 Vib (Bot)    4  0.735348D+00         -0.133507         -0.307411
 Vib (Bot)    5  0.636338D+00         -0.196312         -0.452026
 Vib (Bot)    6  0.616237D+00         -0.210252         -0.484124
 Vib (Bot)    7  0.500597D+00         -0.300512         -0.691954
 Vib (Bot)    8  0.463782D+00         -0.333686         -0.768340
 Vib (Bot)    9  0.457125D+00         -0.339965         -0.782798
 Vib (V=0)       0.212649D+02          1.327663          3.057056
 Vib (V=0)    1  0.184807D+01          0.266719          0.614144
 Vib (V=0)    2  0.158888D+01          0.201091          0.463029
 Vib (V=0)    3  0.148202D+01          0.170855          0.393408
 Vib (V=0)    4  0.138923D+01          0.142775          0.328752
 Vib (V=0)    5  0.130927D+01          0.117031          0.269473
 Vib (V=0)    6  0.129357D+01          0.111789          0.257403
 Vib (V=0)    7  0.120753D+01          0.081898          0.188576
 Vib (V=0)    8  0.118198D+01          0.072609          0.167189
 Vib (V=0)    9  0.117747D+01          0.070949          0.163367
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116181D+06          5.065135         11.662903
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 11 11111 1                                          
   000000                            2222 21                          444 4 3333 22 10000 0 9  98 8 877 6          333 32 222 1      
   888642                            8884 07                          997 1 4220 53 89877 3 8  17 2 065 8          986 09 630 6      
   641441                            6535 70                          996 2 9942 02 98586 0 9  09 7 130 7          285 79 436 1      
 
   XX XXX                            XXXX XX                          XXX X XXXX XX XXXXX X    XX X XXX             X                
   XX XXX                            XXXX XX                          XX      X  XX                                                  
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX    X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                            X                                                                                               
   XX  X                                                                                                                             
   XX  X                                                                                                                             
   XX  X                                                                                                                             
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
      5   0.649699D+01  0.249789D+01 -0.120420D+01  0.549639D+01  0.760254D+01
      6   0.756015D+01 -0.761595D+01  0.856981D+01  0.684759D+01  0.116173D+02
                21            22            23            24            25 
      1   0.571695D+01 -0.972040D+01  0.149449D+02  0.990688D+01  0.659415D+01
      2   0.953688D+01  0.540941D+01 -0.153542D+02 -0.119740D+02  0.848561D+01
      3  -0.152538D+02  0.431099D+01  0.409285D+00  0.206712D+01 -0.150798D+02
      4   0.115897D+02  0.259488D+01  0.364037D+01  0.511122D+01  0.127195D+02
      5  -0.665139D+01  0.797896D+01  0.433324D+01  0.873945D+01 -0.796326D+01
      6   0.108899D+00  0.103796D+02 -0.812349D+01 -0.185578D+01  0.548178D-01
                26            27            28            29            30 
      1   0.107210D+02 -0.572823D+01 -0.335326D+01  0.753911D+01  0.117357D+02
      2  -0.119699D+02  0.123067D+02  0.515822D+01 -0.973739D+01 -0.180733D+02
      3   0.124898D+01 -0.657845D+01 -0.180496D+01  0.219828D+01  0.633761D+01
      4   0.533251D+01  0.523381D+00  0.238203D+01 -0.109824D+01 -0.237082D+01
      5   0.721835D+01 -0.983423D+01  0.708425D+01  0.307980D+01 -0.113790D+02
      6  -0.109305D+01  0.115967D+01 -0.586468D+01 -0.142833D+02  0.480032D+01
                31            32            33            34            35 
      1   0.737364D+01  0.601206D+01  0.643470D+01  0.121672D+02  0.523680D+01
      2  -0.903489D+01 -0.297310D+01 -0.636752D+00 -0.177843D+02 -0.298154D+00
      3   0.166125D+01 -0.303896D+01 -0.579795D+01  0.561708D+01 -0.493865D+01
      4  -0.131397D+00 -0.110690D+02 -0.121481D+02 -0.152309D+01 -0.131087D+02
      5   0.505989D+01 -0.722053D+01  0.851605D+00 -0.115330D+02  0.252973D+01
      6  -0.131142D+02  0.212194D+01 -0.951025D+01  0.559191D+01 -0.105196D+02
                36            37            38            39            40 
      1  -0.219505D+01  0.301867D+01  0.179791D+01 -0.108939D+02  0.198260D+01
      2  -0.289790D+01  0.435314D+01  0.149329D+02  0.271849D+01  0.146089D+02
      3   0.509295D+01 -0.737181D+01 -0.167308D+02  0.817538D+01 -0.165915D+02
      4   0.879932D+01 -0.146818D+01 -0.839988D+01 -0.247193D-01 -0.900401D+01
      5   0.189953D+00 -0.237976D+01 -0.293451D+01 -0.111469D+02 -0.409268D+01
      6   0.305006D+01  0.184046D+01 -0.395695D+01 -0.144499D+02 -0.453226D+01
                41            42            43            44            45 
      1  -0.333808D+01 -0.258826D+01 -0.115903D+02 -0.184309D+01  0.541044D+00
      2  -0.772822D+01  0.425992D+01  0.429450D+01  0.327452D+01  0.383361D+01
      3   0.110663D+02 -0.167167D+01  0.729584D+01 -0.143142D+01 -0.437465D+01
      4   0.101143D+02  0.314441D+01 -0.639072D+00  0.528171D+01 -0.855402D+01
      5  -0.658166D+01 -0.132032D+02 -0.959432D+01 -0.122894D+02  0.829081D+01
      6   0.350988D+01  0.753496D+00 -0.133804D+02  0.962984D+00 -0.509173D+01
                46            47            48            49            50 
      1  -0.181812D+01  0.342748D+01 -0.592516D+01  0.286026D+01 -0.634858D+01
      2  -0.560531D+00 -0.982620D+00 -0.150702D+01 -0.821086D+00  0.245403D+01
      3   0.237865D+01 -0.244486D+01  0.743218D+01 -0.203918D+01  0.389455D+01
      4  -0.748985D+00  0.241596D+01 -0.223941D+00  0.379509D+01  0.239650D+01
      5   0.296652D+01 -0.809510D+00  0.319889D+01 -0.162852D+01 -0.294953D+01
      6  -0.213678D+01  0.292367D+01 -0.398796D+01  0.205293D+00 -0.921322D+01
                51            52            53            54            55 
      1   0.996085D+01 -0.433142D+01  0.973447D+01 -0.211308D+02  0.136441D+02
      2   0.814870D-01  0.114699D+01 -0.279522D+00 -0.107177D+02 -0.776981D+01
      3  -0.100423D+02  0.318443D+01 -0.945495D+01  0.318485D+02 -0.587433D+01
      4  -0.301982D+01 -0.656075D+00 -0.340525D+01  0.389137D+01 -0.862630D+01
      5   0.369911D+01  0.556468D+01  0.318812D+01 -0.946022D+01 -0.102154D+02
      6   0.122188D+02 -0.138249D+01  0.120824D+02 -0.163191D+02  0.518537D+01
                56            57            58            59            60 
      1  -0.621091D+01 -0.319414D+01 -0.891142D+01  0.328445D+01  0.160803D+01
      2   0.481006D+01  0.401950D+01  0.602163D+01  0.668003D+00 -0.398798D+01
      3   0.140085D+01 -0.825362D+00  0.288979D+01 -0.395246D+01  0.237995D+01
      4   0.110041D+02  0.433703D+01  0.126457D+02 -0.162132D+02 -0.522955D+01
      5   0.713563D+01  0.732844D+01  0.103428D+02 -0.807265D+01 -0.889878D+01
      6  -0.560592D+01 -0.379884D+01 -0.665341D+01  0.125001D+02  0.774866D+01
                61            62            63            64            65 
      1  -0.206733D+01  0.189410D+01 -0.113317D+01  0.235553D+02  0.964213D+01
      2   0.374531D+01 -0.301601D+01 -0.391897D+01 -0.643046D+01  0.105028D+01
      3  -0.167798D+01  0.112191D+01  0.505214D+01 -0.171249D+02 -0.106924D+02
      4   0.398149D+01 -0.381738D+01 -0.376538D+01  0.159189D+02  0.140946D+02
      5   0.706592D+01 -0.575892D+01 -0.700664D+01 -0.189961D+01 -0.989456D-01
      6  -0.399992D+01  0.675929D+01  0.336172D+01 -0.173589D+01 -0.284720D+01
                66            67            68            69            70 
      1   0.418514D+01  0.109212D+02  0.546203D+01  0.318405D+01  0.803225D+01
      2  -0.181207D+00  0.807337D+00  0.606280D+01  0.177623D+01 -0.198613D+01
      3  -0.400394D+01 -0.117286D+02 -0.115248D+02 -0.496029D+01 -0.604613D+01
      4   0.349746D+01  0.155112D+02  0.146238D+02  0.235799D+01  0.613601D+01
      5   0.469687D+01 -0.766825D+00 -0.111685D+01  0.369081D+01  0.362476D+01
      6   0.380275D+00 -0.280049D+01 -0.203742D+01  0.342060D+01  0.559814D+00
                71            72            73            74            75 
      1   0.335001D+01  0.152233D+01  0.765232D+01 -0.546459D+00  0.352789D+01
      2   0.223915D+01 -0.172492D+00 -0.857417D+01  0.167149D+01 -0.934471D+01
      3  -0.558916D+01 -0.134984D+01  0.921848D+00 -0.112503D+01  0.581682D+01
      4   0.529861D+01  0.387743D+01  0.147279D+01  0.301131D+01 -0.556873D+00
      5   0.271068D+01  0.456261D+01  0.104791D+02 -0.286811D+01  0.133753D+02
      6   0.240981D+01  0.111616D+01  0.456831D+00  0.250669D+00  0.217953D+01
                76            77            78            79            80 
      1  -0.245110D+01 -0.157138D+01 -0.546460D+00  0.386487D+01 -0.177076D+01
      2   0.336728D+01 -0.974929D+00  0.719120D+01 -0.104547D+02  0.594894D+01
      3  -0.916180D+00  0.254630D+01 -0.664474D+01  0.658988D+01 -0.417818D+01
      4   0.220856D+01 -0.368812D+01  0.284363D+01  0.192697D+00  0.381703D+01
      5  -0.565997D+01  0.339104D+01 -0.677246D+01  0.150156D+02 -0.337931D+01
      6   0.518981D+00 -0.244190D+01  0.358387D+01  0.232010D+01  0.497637D+01
                81            82            83            84            85 
      1  -0.318830D+01  0.269312D+02  0.607223D+01 -0.817550D+01  0.462983D+01
      2  -0.198077D+02 -0.822984D+01  0.127405D+01  0.737676D+00  0.166413D+01
      3   0.229960D+02 -0.187014D+02 -0.734628D+01  0.743783D+01 -0.629395D+01
      4  -0.405302D-01  0.179153D+02  0.110254D+02 -0.609719D+01  0.961362D+01
      5   0.218608D+02 -0.426074D+01 -0.152001D+01  0.764377D+01 -0.137565D+01
      6   0.453546D+01 -0.410488D+01 -0.219741D+01  0.466421D+01 -0.254930D+01
                86            87            88            89            90 
      1   0.997551D+00 -0.200184D+01 -0.117290D+02 -0.214631D+01  0.527750D+01
      2   0.448160D+01 -0.205876D+00  0.244316D+01 -0.161583D+01 -0.328440D+01
      3  -0.547916D+01  0.220772D+01  0.928585D+01  0.376214D+01 -0.199310D+01
      4   0.689882D+01 -0.412999D+01 -0.934426D+01 -0.704023D+01  0.483567D+01
      5  -0.186916D+01  0.566234D+00  0.757558D+01  0.151711D+01 -0.695177D+01
      6  -0.424361D+00  0.325159D+01  0.450399D+01  0.322704D+01 -0.594334D+01
                91            92            93            94            95 
      1  -0.208768D+01  0.841822D+01  0.243568D+01  0.657230D+01 -0.231510D+02
      2   0.406947D+01 -0.103849D+02 -0.204714D+01 -0.611640D+01  0.337453D+02
      3  -0.198180D+01  0.196667D+01 -0.388543D+00 -0.455904D+00 -0.105943D+02
      4  -0.388307D+01  0.427430D+01  0.224320D+00  0.570378D+01  0.435377D+01
      5  -0.315471D+01  0.184934D+01  0.218593D+01  0.238896D+01 -0.354618D+00
      6   0.242705D+01 -0.624858D+01 -0.449753D+01 -0.328135D+01  0.183924D+02
                96            97            98            99           100 
      1  -0.830312D+01  0.118609D+01 -0.764527D+01 -0.511229D+01  0.475656D+01
      2   0.744036D+01 -0.176024D+01  0.655032D+01  0.224070D+01  0.418466D+00
      3   0.862766D+00  0.574151D+00  0.109494D+01  0.287159D+01 -0.517502D+01
      4   0.113283D+01 -0.791882D-02  0.102606D+01  0.424257D+00 -0.911044D+01
      5   0.327695D+00  0.303148D+01 -0.199584D+00  0.147956D+01  0.368584D+01
      6   0.114068D+02 -0.187882D+01  0.105651D+02  0.703256D+01 -0.381759D+01
               101           102           103           104           105 
      1  -0.173009D+01  0.109574D+01 -0.109202D+01 -0.571342D+01  0.164533D+01
      2  -0.327666D+01  0.272770D+01 -0.363074D+01  0.141302D+02 -0.672898D+01
      3   0.500675D+01 -0.382344D+01  0.472276D+01 -0.841676D+01  0.508364D+01
      4   0.897020D+01 -0.566082D+01  0.810704D+01 -0.942047D+01  0.713654D+01
      5  -0.325661D+01  0.699994D+01 -0.285067D+01  0.442220D+01 -0.378625D+01
      6   0.496466D+01 -0.559708D+01  0.490188D+01 -0.830627D+01  0.101115D+02
               106           107           108           109           110 
      1   0.210933D+01  0.364123D+01 -0.263254D+01 -0.278166D+01 -0.878102D+01
      2   0.260542D+01 -0.102863D+02  0.306303D+01  0.444311D+01  0.130744D+02
      3  -0.471475D+01  0.664506D+01 -0.430489D+00 -0.166145D+01 -0.429341D+01
      4  -0.865688D+01  0.102789D+02 -0.810698D+01  0.938376D+01  0.764522D+01
      5   0.747518D+01 -0.503861D+01  0.962723D+01  0.307915D+01  0.187216D+01
      6  -0.630483D+01  0.118268D+02 -0.160724D+02  0.559970D+01  0.841322D+01
               111           112           113           114           115 
      1  -0.560410D+01 -0.651127D+01 -0.166785D+02 -0.823855D+01 -0.475549D+01
      2   0.424013D+01  0.843293D+01  0.250638D+02  0.796981D+01  0.382751D+01
      3   0.136397D+01 -0.192166D+01 -0.838522D+01  0.268736D+00  0.927986D+00
      4   0.409465D+01  0.727659D+01  0.539826D+01  0.308106D+01  0.421099D+01
      5   0.383397D+01  0.124667D+01  0.160867D+01  0.220606D+00  0.419075D+01
      6   0.663156D+01  0.578643D+01  0.135530D+02  0.112167D+02  0.378256D+01
               116           117           118           119           120 
      1  -0.889076D+01 -0.744042D+01  0.192371D+02  0.396237D+00 -0.763979D+01
      2   0.872729D+01  0.428946D+01 -0.140181D+02 -0.249729D+01  0.101804D+02
      3   0.163472D+00  0.315096D+01 -0.521901D+01  0.210105D+01 -0.254057D+01
      4   0.289646D+01  0.153257D+01 -0.121692D+02  0.643942D+01  0.652324D+01
      5   0.406920D+00  0.124287D+01 -0.163660D+02  0.994652D+00  0.138532D+02
      6   0.123332D+02  0.102341D+02  0.699950D+01 -0.177497D+01 -0.686576D+01
               121           122           123           124           125 
      1   0.271710D+01  0.850404D+00 -0.141360D+01 -0.830156D+01 -0.172078D+01
      2  -0.315265D+01 -0.770217D+00  0.314173D+01  0.104226D+02  0.293591D+01
      3   0.435555D+00 -0.801870D-01 -0.172813D+01 -0.212104D+01 -0.121513D+01
      4   0.367755D+01  0.729330D+00 -0.132635D+01  0.730155D+01 -0.268350D+01
      5  -0.179760D+01 -0.218133D+01  0.150170D+01  0.141044D+02 -0.139934D+01
      6  -0.855270D+00  0.116700D+00  0.305697D+01 -0.649745D+01  0.520721D+01
               126           127           128           129           130 
      1   0.210805D+01  0.508608D+01 -0.212322D+01 -0.257109D+00 -0.243452D+01
      2  -0.911717D+01  0.181391D+01 -0.760781D+01 -0.114025D+01 -0.755327D+01
      3   0.700912D+01 -0.689999D+01  0.973103D+01  0.139735D+01  0.998779D+01
      4  -0.634282D+01 -0.108304D+02  0.131267D+02 -0.508295D+00  0.135922D+02
      5  -0.135287D+02  0.490978D+01 -0.396985D+01  0.453345D+01 -0.463280D+01
      6   0.730054D+01 -0.439706D+01  0.643090D+01 -0.135220D+01  0.623889D+01
               131           132           133           134           135 
      1  -0.627036D+01  0.266665D+01 -0.102993D+01  0.570294D+00 -0.661860D+00
      2   0.240597D+02  0.124961D+01 -0.104262D+01  0.393882D+01  0.164432D+01
      3  -0.177893D+02 -0.391626D+01  0.207255D+01 -0.450911D+01 -0.982464D+00
      4  -0.185591D+02  0.519439D+00  0.210623D+01 -0.243228D+01 -0.188797D+01
      5   0.592107D+01 -0.215000D+01  0.270231D+01 -0.106970D+01 -0.107958D+01
      6  -0.136829D+02  0.630226D+01 -0.590795D+00  0.345376D+01  0.734269D+00
               136           137           138           139           140 
      1  -0.238115D+01 -0.362247D+01  0.919547D+01 -0.265085D+01 -0.384530D+01
      2  -0.430999D+01  0.404906D+00  0.542048D+01 -0.357407D+00  0.242423D+01
      3   0.669114D+01  0.321756D+01 -0.146160D+02  0.300826D+01  0.142107D+01
      4   0.658150D+01  0.455666D+01 -0.409557D+01  0.448710D+01  0.935896D+00
      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
      1   0.497012D+01  0.728131D+01  0.524432D+01 -0.147348D+02  0.103135D+02
      2  -0.106849D+01  0.286862D+01 -0.472085D+00 -0.990023D+01 -0.127579D+02
      3  -0.390163D+01 -0.101499D+02 -0.477224D+01  0.246351D+02  0.244443D+01
      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
      5   0.322238D+01  0.103582D+02  0.335701D+01 -0.919743D+01  0.168821D+02
      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01
 Leave Link  716 at Thu Jan 27 18:49:00 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
      5   0.649699D+01  0.249789D+01 -0.120420D+01  0.549639D+01  0.760254D+01
      6   0.756015D+01 -0.761595D+01  0.856981D+01  0.684759D+01  0.116173D+02
                21            22            23            24            25 
      1   0.571695D+01 -0.972040D+01  0.149449D+02  0.990688D+01  0.659415D+01
      2   0.953688D+01  0.540941D+01 -0.153542D+02 -0.119740D+02  0.848561D+01
      3  -0.152538D+02  0.431099D+01  0.409285D+00  0.206712D+01 -0.150798D+02
      4   0.115897D+02  0.259488D+01  0.364037D+01  0.511122D+01  0.127195D+02
      5  -0.665139D+01  0.797896D+01  0.433324D+01  0.873945D+01 -0.796326D+01
      6   0.108899D+00  0.103796D+02 -0.812349D+01 -0.185578D+01  0.548178D-01
                26            27            28            29            30 
      1   0.107210D+02 -0.572823D+01 -0.335326D+01  0.753911D+01  0.117357D+02
      2  -0.119699D+02  0.123067D+02  0.515822D+01 -0.973739D+01 -0.180733D+02
      3   0.124898D+01 -0.657845D+01 -0.180496D+01  0.219828D+01  0.633761D+01
      4   0.533251D+01  0.523381D+00  0.238203D+01 -0.109824D+01 -0.237082D+01
      5   0.721835D+01 -0.983423D+01  0.708425D+01  0.307980D+01 -0.113790D+02
      6  -0.109305D+01  0.115967D+01 -0.586468D+01 -0.142833D+02  0.480032D+01
                31            32            33            34            35 
      1   0.737364D+01  0.601206D+01  0.643470D+01  0.121672D+02  0.523680D+01
      2  -0.903489D+01 -0.297310D+01 -0.636752D+00 -0.177843D+02 -0.298154D+00
      3   0.166125D+01 -0.303896D+01 -0.579795D+01  0.561708D+01 -0.493865D+01
      4  -0.131397D+00 -0.110690D+02 -0.121481D+02 -0.152309D+01 -0.131087D+02
      5   0.505989D+01 -0.722053D+01  0.851605D+00 -0.115330D+02  0.252973D+01
      6  -0.131142D+02  0.212194D+01 -0.951025D+01  0.559191D+01 -0.105196D+02
                36            37            38            39            40 
      1  -0.219505D+01  0.301867D+01  0.179791D+01 -0.108939D+02  0.198260D+01
      2  -0.289790D+01  0.435314D+01  0.149329D+02  0.271849D+01  0.146089D+02
      3   0.509295D+01 -0.737181D+01 -0.167308D+02  0.817538D+01 -0.165915D+02
      4   0.879932D+01 -0.146818D+01 -0.839988D+01 -0.247193D-01 -0.900401D+01
      5   0.189953D+00 -0.237976D+01 -0.293451D+01 -0.111469D+02 -0.409268D+01
      6   0.305006D+01  0.184046D+01 -0.395695D+01 -0.144499D+02 -0.453226D+01
                41            42            43            44            45 
      1  -0.333808D+01 -0.258826D+01 -0.115903D+02 -0.184309D+01  0.541044D+00
      2  -0.772822D+01  0.425992D+01  0.429450D+01  0.327452D+01  0.383361D+01
      3   0.110663D+02 -0.167167D+01  0.729584D+01 -0.143142D+01 -0.437465D+01
      4   0.101143D+02  0.314441D+01 -0.639072D+00  0.528171D+01 -0.855402D+01
      5  -0.658166D+01 -0.132032D+02 -0.959432D+01 -0.122894D+02  0.829081D+01
      6   0.350988D+01  0.753496D+00 -0.133804D+02  0.962984D+00 -0.509173D+01
                46            47            48            49            50 
      1  -0.181812D+01  0.342748D+01 -0.592516D+01  0.286026D+01 -0.634858D+01
      2  -0.560531D+00 -0.982620D+00 -0.150702D+01 -0.821086D+00  0.245403D+01
      3   0.237865D+01 -0.244486D+01  0.743218D+01 -0.203918D+01  0.389455D+01
      4  -0.748985D+00  0.241596D+01 -0.223941D+00  0.379509D+01  0.239650D+01
      5   0.296652D+01 -0.809510D+00  0.319889D+01 -0.162852D+01 -0.294953D+01
      6  -0.213678D+01  0.292367D+01 -0.398796D+01  0.205293D+00 -0.921322D+01
                51            52            53            54            55 
      1   0.996085D+01 -0.433142D+01  0.973447D+01 -0.211308D+02  0.136441D+02
      2   0.814870D-01  0.114699D+01 -0.279522D+00 -0.107177D+02 -0.776981D+01
      3  -0.100423D+02  0.318443D+01 -0.945495D+01  0.318485D+02 -0.587433D+01
      4  -0.301982D+01 -0.656075D+00 -0.340525D+01  0.389137D+01 -0.862630D+01
      5   0.369911D+01  0.556468D+01  0.318812D+01 -0.946022D+01 -0.102154D+02
      6   0.122188D+02 -0.138249D+01  0.120824D+02 -0.163191D+02  0.518537D+01
                56            57            58            59            60 
      1  -0.621091D+01 -0.319414D+01 -0.891142D+01  0.328445D+01  0.160803D+01
      2   0.481006D+01  0.401950D+01  0.602163D+01  0.668003D+00 -0.398798D+01
      3   0.140085D+01 -0.825362D+00  0.288979D+01 -0.395246D+01  0.237995D+01
      4   0.110041D+02  0.433703D+01  0.126457D+02 -0.162132D+02 -0.522955D+01
      5   0.713563D+01  0.732844D+01  0.103428D+02 -0.807265D+01 -0.889878D+01
      6  -0.560592D+01 -0.379884D+01 -0.665341D+01  0.125001D+02  0.774866D+01
                61            62            63            64            65 
      1  -0.206733D+01  0.189410D+01 -0.113317D+01  0.235553D+02  0.964213D+01
      2   0.374531D+01 -0.301601D+01 -0.391897D+01 -0.643046D+01  0.105028D+01
      3  -0.167798D+01  0.112191D+01  0.505214D+01 -0.171249D+02 -0.106924D+02
      4   0.398149D+01 -0.381738D+01 -0.376538D+01  0.159189D+02  0.140946D+02
      5   0.706592D+01 -0.575892D+01 -0.700664D+01 -0.189961D+01 -0.989456D-01
      6  -0.399992D+01  0.675929D+01  0.336172D+01 -0.173589D+01 -0.284720D+01
                66            67            68            69            70 
      1   0.418514D+01  0.109212D+02  0.546203D+01  0.318405D+01  0.803225D+01
      2  -0.181207D+00  0.807337D+00  0.606280D+01  0.177623D+01 -0.198613D+01
      3  -0.400394D+01 -0.117286D+02 -0.115248D+02 -0.496029D+01 -0.604613D+01
      4   0.349746D+01  0.155112D+02  0.146238D+02  0.235799D+01  0.613601D+01
      5   0.469687D+01 -0.766825D+00 -0.111685D+01  0.369081D+01  0.362476D+01
      6   0.380275D+00 -0.280049D+01 -0.203742D+01  0.342060D+01  0.559814D+00
                71            72            73            74            75 
      1   0.335001D+01  0.152233D+01  0.765232D+01 -0.546459D+00  0.352789D+01
      2   0.223915D+01 -0.172492D+00 -0.857417D+01  0.167149D+01 -0.934471D+01
      3  -0.558916D+01 -0.134984D+01  0.921848D+00 -0.112503D+01  0.581682D+01
      4   0.529861D+01  0.387743D+01  0.147279D+01  0.301131D+01 -0.556873D+00
      5   0.271068D+01  0.456261D+01  0.104791D+02 -0.286811D+01  0.133753D+02
      6   0.240981D+01  0.111616D+01  0.456831D+00  0.250669D+00  0.217953D+01
                76            77            78            79            80 
      1  -0.245110D+01 -0.157138D+01 -0.546460D+00  0.386487D+01 -0.177076D+01
      2   0.336728D+01 -0.974929D+00  0.719120D+01 -0.104547D+02  0.594894D+01
      3  -0.916180D+00  0.254630D+01 -0.664474D+01  0.658988D+01 -0.417818D+01
      4   0.220856D+01 -0.368812D+01  0.284363D+01  0.192697D+00  0.381703D+01
      5  -0.565997D+01  0.339104D+01 -0.677246D+01  0.150156D+02 -0.337931D+01
      6   0.518981D+00 -0.244190D+01  0.358387D+01  0.232010D+01  0.497637D+01
                81            82            83            84            85 
      1  -0.318830D+01  0.269312D+02  0.607223D+01 -0.817550D+01  0.462983D+01
      2  -0.198077D+02 -0.822984D+01  0.127405D+01  0.737676D+00  0.166413D+01
      3   0.229960D+02 -0.187014D+02 -0.734628D+01  0.743783D+01 -0.629395D+01
      4  -0.405302D-01  0.179153D+02  0.110254D+02 -0.609719D+01  0.961362D+01
      5   0.218608D+02 -0.426074D+01 -0.152001D+01  0.764377D+01 -0.137565D+01
      6   0.453546D+01 -0.410488D+01 -0.219741D+01  0.466421D+01 -0.254930D+01
                86            87            88            89            90 
      1   0.997551D+00 -0.200184D+01 -0.117290D+02 -0.214631D+01  0.527750D+01
      2   0.448160D+01 -0.205876D+00  0.244316D+01 -0.161583D+01 -0.328440D+01
      3  -0.547916D+01  0.220772D+01  0.928585D+01  0.376214D+01 -0.199310D+01
      4   0.689882D+01 -0.412999D+01 -0.934426D+01 -0.704023D+01  0.483567D+01
      5  -0.186916D+01  0.566234D+00  0.757558D+01  0.151711D+01 -0.695177D+01
      6  -0.424361D+00  0.325159D+01  0.450399D+01  0.322704D+01 -0.594334D+01
                91            92            93            94            95 
      1  -0.208768D+01  0.841822D+01  0.243568D+01  0.657230D+01 -0.231510D+02
      2   0.406947D+01 -0.103849D+02 -0.204714D+01 -0.611640D+01  0.337453D+02
      3  -0.198180D+01  0.196667D+01 -0.388543D+00 -0.455904D+00 -0.105943D+02
      4  -0.388307D+01  0.427430D+01  0.224320D+00  0.570378D+01  0.435377D+01
      5  -0.315471D+01  0.184934D+01  0.218593D+01  0.238896D+01 -0.354618D+00
      6   0.242705D+01 -0.624858D+01 -0.449753D+01 -0.328135D+01  0.183924D+02
                96            97            98            99           100 
      1  -0.830312D+01  0.118609D+01 -0.764527D+01 -0.511229D+01  0.475656D+01
      2   0.744036D+01 -0.176024D+01  0.655032D+01  0.224070D+01  0.418466D+00
      3   0.862766D+00  0.574151D+00  0.109494D+01  0.287159D+01 -0.517502D+01
      4   0.113283D+01 -0.791882D-02  0.102606D+01  0.424257D+00 -0.911044D+01
      5   0.327695D+00  0.303148D+01 -0.199584D+00  0.147956D+01  0.368584D+01
      6   0.114068D+02 -0.187882D+01  0.105651D+02  0.703256D+01 -0.381759D+01
               101           102           103           104           105 
      1  -0.173009D+01  0.109574D+01 -0.109202D+01 -0.571342D+01  0.164533D+01
      2  -0.327666D+01  0.272770D+01 -0.363074D+01  0.141302D+02 -0.672898D+01
      3   0.500675D+01 -0.382344D+01  0.472276D+01 -0.841676D+01  0.508364D+01
      4   0.897020D+01 -0.566082D+01  0.810704D+01 -0.942047D+01  0.713654D+01
      5  -0.325661D+01  0.699994D+01 -0.285067D+01  0.442220D+01 -0.378625D+01
      6   0.496466D+01 -0.559708D+01  0.490188D+01 -0.830627D+01  0.101115D+02
               106           107           108           109           110 
      1   0.210933D+01  0.364123D+01 -0.263254D+01 -0.278166D+01 -0.878102D+01
      2   0.260542D+01 -0.102863D+02  0.306303D+01  0.444311D+01  0.130744D+02
      3  -0.471475D+01  0.664506D+01 -0.430489D+00 -0.166145D+01 -0.429341D+01
      4  -0.865688D+01  0.102789D+02 -0.810698D+01  0.938376D+01  0.764522D+01
      5   0.747518D+01 -0.503861D+01  0.962723D+01  0.307915D+01  0.187216D+01
      6  -0.630483D+01  0.118268D+02 -0.160724D+02  0.559970D+01  0.841322D+01
               111           112           113           114           115 
      1  -0.560410D+01 -0.651127D+01 -0.166785D+02 -0.823855D+01 -0.475549D+01
      2   0.424013D+01  0.843293D+01  0.250638D+02  0.796981D+01  0.382751D+01
      3   0.136397D+01 -0.192166D+01 -0.838522D+01  0.268736D+00  0.927986D+00
      4   0.409465D+01  0.727659D+01  0.539826D+01  0.308106D+01  0.421099D+01
      5   0.383397D+01  0.124667D+01  0.160867D+01  0.220606D+00  0.419075D+01
      6   0.663156D+01  0.578643D+01  0.135530D+02  0.112167D+02  0.378256D+01
               116           117           118           119           120 
      1  -0.889076D+01 -0.744042D+01  0.192371D+02  0.396237D+00 -0.763979D+01
      2   0.872729D+01  0.428946D+01 -0.140181D+02 -0.249729D+01  0.101804D+02
      3   0.163472D+00  0.315096D+01 -0.521901D+01  0.210105D+01 -0.254057D+01
      4   0.289646D+01  0.153257D+01 -0.121692D+02  0.643942D+01  0.652324D+01
      5   0.406920D+00  0.124287D+01 -0.163660D+02  0.994652D+00  0.138532D+02
      6   0.123332D+02  0.102341D+02  0.699950D+01 -0.177497D+01 -0.686576D+01
               121           122           123           124           125 
      1   0.271710D+01  0.850404D+00 -0.141360D+01 -0.830156D+01 -0.172078D+01
      2  -0.315265D+01 -0.770217D+00  0.314173D+01  0.104226D+02  0.293591D+01
      3   0.435555D+00 -0.801870D-01 -0.172813D+01 -0.212104D+01 -0.121513D+01
      4   0.367755D+01  0.729330D+00 -0.132635D+01  0.730155D+01 -0.268350D+01
      5  -0.179760D+01 -0.218133D+01  0.150170D+01  0.141044D+02 -0.139934D+01
      6  -0.855270D+00  0.116700D+00  0.305697D+01 -0.649745D+01  0.520721D+01
               126           127           128           129           130 
      1   0.210805D+01  0.508608D+01 -0.212322D+01 -0.257109D+00 -0.243452D+01
      2  -0.911717D+01  0.181391D+01 -0.760781D+01 -0.114025D+01 -0.755327D+01
      3   0.700912D+01 -0.689999D+01  0.973103D+01  0.139735D+01  0.998779D+01
      4  -0.634282D+01 -0.108304D+02  0.131267D+02 -0.508295D+00  0.135922D+02
      5  -0.135287D+02  0.490978D+01 -0.396985D+01  0.453345D+01 -0.463280D+01
      6   0.730054D+01 -0.439706D+01  0.643090D+01 -0.135220D+01  0.623889D+01
               131           132           133           134           135 
      1  -0.627036D+01  0.266665D+01 -0.102993D+01  0.570294D+00 -0.661860D+00
      2   0.240597D+02  0.124961D+01 -0.104262D+01  0.393882D+01  0.164432D+01
      3  -0.177893D+02 -0.391626D+01  0.207255D+01 -0.450911D+01 -0.982464D+00
      4  -0.185591D+02  0.519439D+00  0.210623D+01 -0.243228D+01 -0.188797D+01
      5   0.592107D+01 -0.215000D+01  0.270231D+01 -0.106970D+01 -0.107958D+01
      6  -0.136829D+02  0.630226D+01 -0.590795D+00  0.345376D+01  0.734269D+00
               136           137           138           139           140 
      1  -0.238115D+01 -0.362247D+01  0.919547D+01 -0.265085D+01 -0.384530D+01
      2  -0.430999D+01  0.404906D+00  0.542048D+01 -0.357407D+00  0.242423D+01
      3   0.669114D+01  0.321756D+01 -0.146160D+02  0.300826D+01  0.142107D+01
      4   0.658150D+01  0.455666D+01 -0.409557D+01  0.448710D+01  0.935896D+00
      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
      1   0.497012D+01  0.728131D+01  0.524432D+01 -0.147348D+02  0.103135D+02
      2  -0.106849D+01  0.286862D+01 -0.472085D+00 -0.990023D+01 -0.127579D+02
      3  -0.390163D+01 -0.101499D+02 -0.477224D+01  0.246351D+02  0.244443D+01
      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
      5   0.322238D+01  0.103582D+02  0.335701D+01 -0.919743D+01  0.168821D+02
      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674778D+02      0.999918D+01      0.111256D+02
   yx        -0.714449D-02     -0.105870D-02     -0.117797D-02
   yy         0.674823D+02      0.999984D+01      0.111263D+02
   zx        -0.253920D-01     -0.376270D-02     -0.418657D-02
   zy        -0.263301D-01     -0.390172D-02     -0.434125D-02
   zz         0.674886D+02      0.100008D+02      0.111274D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199254         -1.77261301          2.27711133
     6         -2.54545340          1.37771088          0.13617653
     6          0.13192766         -1.54554824         -2.44740814
     6          2.15152906          1.94045125          0.03412953
     1         -1.25041340         -3.17768896          2.29985288
     1          0.17452129         -0.71848893          4.05005431
     1          2.06294506         -2.78069272          2.22733033
     1         -4.11526103          0.03703417          0.11598662
     1         -2.78261752          2.65548459         -1.46793640
     1         -2.69011410          2.49703054          1.86485559
     1         -1.38323256         -2.94587515         -2.52154318
     1          1.93017181         -2.54907314         -2.59353788
     1         -0.04999614         -0.32654109         -4.10361463
     1          2.10266957          3.07012064          1.76144197
     1          2.01060417          3.23088337         -1.57120856
     1          3.99110568          1.00827613         -0.06164614

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674497D+02      0.999501D+01      0.111209D+02
   yx         0.177877D-01      0.263587D-02      0.293280D-02
   yy         0.675054D+02      0.100033D+02      0.111301D+02
   zx         0.335871D-02      0.497710D-03      0.553777D-03
   zy        -0.150926D-01     -0.223649D-02     -0.248843D-02
   zz         0.674936D+02      0.100015D+02      0.111282D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-08\Freq\RM11\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P M11/G
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 THOSE WHO TRY TO PASS CHEMISTRY OFF AS A NEW SCIENCE
 SHOW HOW LITTLE KNOWLEDGE THEY HAVE OF THE CHARACTER
 AND LITERATURE OF THE ANCIENTS.
   -- NICOLAS LEFEVRE
 "COURS DE CHYMIE" J.-N.LELOUP, PARIS, 1751
 Job cpu time:       0 days  2 hours  7 minutes 13.6 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 56.6 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 18:49:00 2022.
